Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16611477

CCCCCCCCC=CCCCCCCCC(=O)OC(C)(OC(=O)CCCCCCCC=CCCCCCCCC)N(C)C.Cl

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG known ✓ P37231 3/20 0.50
▸ CHRM1 known ✓ P11229 1/20 0.50
▸ TOP1 known ✓ P11387 1/20 0.50
▸ CYP19A1 known ✓ P11511 1/20 0.50
▸ PTGS1 known ✓ P23219 1/20 0.50
▸ SLC6A2 known ✓ P23975 1/20 0.50
▸ FLT3 known ✓ P36888 1/20 0.50
▸ KCNH2 known ✓ Q12809 1/20 0.50
▸ FAAH O00519 5/20 0.50
▸ TERT O14746 3/20 0.50
▸ PTPN1 P18031 3/20 0.50
▸ PPARD Q03181 3/20 0.50
▸ PPARA Q07869 3/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ BLM P54132 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ FABP4 P15090 2/20 0.50
▸ KMT2A Q03164 2/20 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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL16611476 1.00 FAAH (0.50) FAAHTERTPTPN1PPARGPPARD
Hydrochloric Acid SCHEMBL16611503 0.91 DNM1 (0.49) PPARGPPARDPPARAMAPTKMT2A
Hydrochloric Acid SCHEMBL8331673 0.91 DNM1 (0.49) PPARGPPARDPPARAMAPTKMT2A
Hydrochloric Acid SCHEMBL28400971 0.91 DNM1 (0.49) PPARGPPARDPPARAMAPTKMT2A
SCHEMBL6220963 0.89 DNM1 (0.50) PPARGPPARDPPARAMAPTKMT2A
Hydrochloric Acid SCHEMBL5376081 0.84 FAAH (0.49) FAAHTERTPTPN1PPARGPPARD
SCHEMBL3660737 0.83 FAAH (0.58) FAAHTERTPTPN1PPARGPPARD
SCHEMBL3660734 0.83 FAAH (0.58) FAAHTERTPTPN1PPARGPPARD
SCHEMBL4263808 0.83 FAAH (0.58) FAAHTERTPTPN1PPARGPPARD
SCHEMBL4034544 0.82 FAAH (0.50) FAAHTERTPTPN1PPARGPPARD

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3279300-B1 FRAGRANCE COMPOSITION KAO CORP (JP) 2019-03-27 — — EP disclosed
EP-3279300-A1 FRAGRANCE COMPOSITION KAO CORPORATION (JP) 2018-02-07 — — EP disclosed
EP-2857482-B1 PERFUME COMPOSITION KAO CORP (JP) 2017-10-11 — — EP disclosed
US-9567550-B2 Fragrance composition KAO CORPORATION (JP) 2017-02-14 — — US disclosed
US-20160376521-A1 PERFUME COMPOSITION KAO CORPORATION (JP) 2016-12-29 — — US disclosed
US-20160326457-A1 ESTER KAO CORPORATION (JP) 2016-11-10 — — US disclosed
EP-3075822-A1 PERFUME COMPOSITION Kao Corporation (JP) 2016-10-05 — — EP disclosed
EP-3072877-A1 ESTER Kao Corporation (JP) 2016-09-28 — — EP disclosed
US-20150118174-A1 FRAGRANCE COMPOSITION KAO CORPORATION (JP) 2015-04-30 — — US disclosed
EP-2857482-A1 PERFUME COMPOSITION Kao Corporation (JP) 2015-04-08 — — EP 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 (3 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150118174-A1 FRAGRANCE COMPOSITION FAAH2, FAAH, DACH1 PPARG 2598/4885CHRM1 1723/4885TOP1 4200/4885
US-20160376521-A1 PERFUME COMPOSITION DEGS1, ALG3, DHCR24 PPARG 320/4885CHRM1 738/4885TOP1 3266/4885
US-20160326457-A1 ESTER MEP1A, ELOVL1, EBP PPARG 1695/4885CHRM1 73/4885TOP1 4604/4885

“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.

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