Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Orthocresol. 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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.50 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.50 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.50 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.50 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.40 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Orthocresol SCHEMBL5481807 | 0.97 | — | — | |
| Orthocresol SCHEMBL3858548 | 0.97 | — | — | |
| Orthocresol SCHEMBL27509665 | 0.97 | — | — | |
| Orthocresol SCHEMBL27997772 | 0.97 | TRPA1 (0.57) | TRPA1ATMALDH1A1TDP1LMNA | |
| Orthocresol SCHEMBL11178411 | 0.97 | TRPA1 (0.57) | TRPA1ATMALDH1A1TDP1LMNA | |
| Orthocresol SCHEMBL27566228 | 0.94 | TRPA1 (0.55) | TRPA1ATMALDH1A1TDP1LMNA | |
| Orthocresol SCHEMBL11781053 | 0.94 | TRPA1 (0.55) | TRPA1ATMALDH1A1TDP1LMNA | |
| Orthocresol SCHEMBL11568473 | 0.94 | TRPA1 (0.55) | TRPA1ATMALDH1A1TDP1LMNA | |
| Orthocresol SCHEMBL29395276 | 0.94 | — | — | |
| Orthocresol SCHEMBL8710164 | 0.94 | TRPA1 (0.60) | TRPA1ATMALDH1A1TDP1LMNA |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7053160-B1 | Metallocene monohalogenides | BASELL POLYOLEFINE GMBH (DE) | 2006-05-30 | — | — | US | claimed |
| EP-1133504-B1 | METHOD FOR PRODUCING MONOARYLOXY-ANSA-METALLOCENES | BASELL POLYOLEFINE GMBH (DE) | 2003-03-12 | — | — | EP | claimed |
| US-6861384-B2 | Process for preparation of a salt-like chemical compound and its use in catalyst systems for preparing polyolefins | BASELL POLYOLEFINE GMBH (DE) | 2005-03-01 | — | — | US | disclosed |
| US-20040072975-A1 | Salt-like chemical compound, its preparation and its use in catalyst systems for preparing polyolefins | BASELL POLYPROPYLEN GMBH (DE) | 2004-04-15 | — | — | US | disclosed |
| US-20040048992-A1 | Process for preparation of salt-like chemical compound, and its use in catalyst systems for preparing polyolefins | EQUISTAR CHEMICALS, LP | 2004-03-11 | — | — | US | disclosed |
| US-20040023940-A1 | Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins | EQUISTAR CHEMICALS, LP | 2004-02-05 | — | — | US | disclosed |
| US-6620953-B1 | Complexing dimethylbis(2-methyl-4,5-benzoindenyl)silane with transition metal compounds such as 2,4-di-tert-butylphenoxide, zirconium monochloride, to form polymerization catalysts | BASSELL POLYOLEFINE GMBH (DE) | 2003-09-16 | — | — | US | disclosed |
| US-20030144434-A1 | Chemical products suited for use as co-catalysts, method for the preparation thereof and their use in catalyst systems for producing polyolefins | EQUISTAR CHEMICALS, LP | 2003-07-31 | — | — | US | disclosed |
| US-20030069426-A1 | Saline chemical composition, method for producing the same and the use thereof in catalyst systems for producing polyolefins | SCHOTTEK JORG (DE) | 2003-04-10 | — | — | US | disclosed |
| US-20030013913-A1 | Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins | EQUISTAR CHEMICALS, LP | 2003-01-16 | — | — | US | 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 (5 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-20030144434-A1 | Chemical products suited for use as co-catalysts, method for the preparation thereof and their use in catalyst systems for producing polyolefins | CBR1, COX6C, CBR3 | CA2 782/4885EGFR 2202/4885PIK3CA 3131/4885 |
| US-20030069426-A1 | Saline chemical composition, method for producing the same and the use thereof in catalyst systems for producing polyolefins | CLIC1, HACL2, ADH1C | CA2 170/4885EGFR 1257/4885PIK3CA 1026/4885 |
| US-20040023940-A1 | Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins | SOAT2, NOTUM, SOAT1 | CA2 3552/4885EGFR 3428/4885PIK3CA 4113/4885 |
| US-20030013913-A1 | Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins | SCO2, CNOT1, CYC1 | CA2 71/4885EGFR 2299/4885PIK3CA 965/4885 |
| US-20040048992-A1 | Process for preparation of salt-like chemical compound, and its use in catalyst systems for preparing polyolefins | CLIC1, HACL2, RFC1 | CA2 129/4885EGFR 2122/4885PIK3CA 1453/4885 |
“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.