Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 4-Hydroxybenzaldehyde. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.50 |
| ▸ | HSD11B1 known ✓ | P28845 | 1/20 | 0.48 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.47 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.46 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.46 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.46 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.44 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.44 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.94 |
| ▸ | ABAT | P80404 | 1/20 | 0.94 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | TYR | P14679 | 4/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | F3 | P13726 | 1/20 | 0.48 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| 4-Hydroxybenzaldehyde SCHEMBL27976010 | 1.00 | ALDH5A1 (0.94) | ALDH5A1ABATALDH1A1KDM4EMAPT | |
| 4-Hydroxybenzaldehyde SCHEMBL19328157 | 0.97 | ALDH5A1 (1.00) | ALDH5A1ABATALDH1A1KDM4EMAPT | |
| 4-Hydroxybenzaldehyde SCHEMBL37193 | 0.97 | — | — | |
| 4-Hydroxybenzaldehyde SCHEMBL30290836 | 0.94 | ALDH5A1 (0.94) | ALDH5A1ABATALDH1A1KDM4EMAPT | |
| 4-Hydroxybenzaldehyde SCHEMBL28498005 | 0.94 | ALDH5A1 (0.94) | ALDH5A1ABATALDH1A1KDM4EMAPT | |
| 4-Hydroxybenzaldehyde SCHEMBL2187647 | 0.94 | ALDH5A1 (0.94) | ALDH5A1ABATALDH1A1KDM4EMAPT | |
| 4-Hydroxybenzaldehyde SCHEMBL29889847 | 0.94 | ALDH5A1 (0.94) | ALDH5A1ABATALDH1A1KDM4EMAPT | |
| 4-Hydroxybenzaldehyde SCHEMBL29153364 | 0.94 | ALDH5A1 (0.94) | ALDH5A1ABATALDH1A1KDM4EMAPT | |
| 4-Hydroxybenzaldehyde SCHEMBL28981620 | 0.94 | ALDH5A1 (0.94) | ALDH5A1ABATALDH1A1KDM4EMAPT | |
| 4-Hydroxybenzaldehyde SCHEMBL29952471 | 0.94 | ALDH5A1 (0.94) | ALDH5A1ABATALDH1A1KDM4EMAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1777214-A2 | Novel aryloxy-alkyl-dialkylamines | Wyeth (US) | 2007-04-25 | — | — | EP | disclosed |
| EP-1025077-B1 | NOVEL ARYLOXY-ALKYL-DIALKYLAMINES | WYETH CORP (US) | 2007-02-28 | — | — | EP | disclosed |
| EP-1212335-B1 | GLUCOPYRANOSIDES CONJUGATES OF 2-(4-HYDROXY-PHENYL)-1- 4-(2-AMIN-1-YL-ETHOXY)-BENZYL]-1H-INDOL-5-OLS | WYETH CORP (US) | 2006-01-18 | — | — | EP | disclosed |
| CN-1196708-C | Glucopyranosides conjugates of 2-(4-hydroxy-phenyl)-1-[4-(2-amin-1-yl-ethoxy)-benzyl)-1h-indol-5-ols | AMERICAN HOME PROD (US) | 2005-04-13 | — | — | CN | disclosed |
| US-6537971-B2 | Useful as tissue selective estrogenic agents, for therapy and prophylaxis of cardiovascular disorders, for increasing cognition or treating or inhibiting dementias or Alzheimer's Disease | WYETH | 2003-03-25 | — | — | US | disclosed |
| CN-1382151-A | Glucopyranosides conjugates of 2-(4-hydroxy-phenyl)-1-[4-(2-amin-1-yl-ethoxy)-benzyl)-1h-indol-5-ols | AMERICAN HOME PROD (US) | 2002-11-27 | — | — | CN | disclosed |
| US-20020142971-A1 | Glucopyranosides conjugates of 2-(4-hydroxy-phenyl)-3-methyl-1-[4-(2-amin-1-yl-ethoxy)-benzyl]-1H-indol-5-ols | AMERICAN HOME PRODUCTS CORPORATION | 2002-10-03 | — | — | US | disclosed |
| EP-1212335-A1 | GLUCOPYRANOSIDES CONJUGATES OF 2-(4-HYDROXY-PHENYL)-1- 4-(2-AMIN-1-YL-ETHOXY)-BENZYL]-1H-INDOL-5-OLS | AMERICAN HOME PRODUCTS CORPORATION (US) | 2002-06-12 | — | — | EP | disclosed |
| US-6380166-B1 | USEFUL AS TISSUE ELECTIVE ESTROGENIC AGENTS, USED IN HORMONE REPLACEMENT THERAPY FOR BONE LOSS PREVENTION IN POST-MENOPAUSAL WOMEN | AMERICAN HOME PRODUCTS CORPORATION | 2002-04-30 | — | — | US | disclosed |
| US-6268504-B1 | USED IN THE PRODUCTION OF PHARMACEUTICAL PRODUCTS | AMERICAN HOME PRODUCTS CORPORATION | 2001-07-31 | — | — | US | disclosed |
| US-6242605-B1 | Aryloxy-alkyl-dialkylamines | AMERICAN HOME PRODUCTS CORPORATION | 2001-06-05 | — | — | US | disclosed |
| WO-2001019839-A1 | GLUCOPYRANOSIDES CONJUGATES OF 2-(4-HYDROXY-PHENYL)-1-[4-(2-AMIN-1-YL-ETHOXY)-BENZYL]-1H-INDOL-5-OLS | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-03-22 | — | — | WO | disclosed |
| EP-1025077-A1 | NOVEL ARYLOXY-ALKYL-DIALKYLAMINES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-08-09 | — | — | EP | disclosed |
| US-6005102-A | NOVEL INTERMEDIATES WHICH MAY BE USED IN THE PRODUCTION OF PHARMACEUTICAL COMPOUNDS FOR ANTI-ESTROGENIC AND MATRIX METALLOPROTEINASES-INHIBITING UTILITIES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-12-21 | — | — | US | disclosed |
| WO-1999019293-A1 | NOVEL ARYLOXY-ALKYL-DIALKYLAMINES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-04-22 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020142971-A1 | Glucopyranosides conjugates of 2-(4-hydroxy-phenyl)-3-methyl-1-[4-(2-amin-1-yl-ethoxy)-benzyl]-1H-indol-5-ols | SHBG, GPER1, SULT1E1 | PTGS2 1997/4885HSD11B1 60/4885CA2 1679/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.