Hydrochloric Acid

Hydrochloric Acid

SCHEMBL699717

COc1c(C(=O)O)cccc1C(=O)O.Cl

nearest known ligand 0.53

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
CA2 known ✓ P00918 1/20 0.48
CASR known ✓ P41180 1/20 0.47
ALDH1A1 P00352 6/20 0.53
HPGD P15428 6/20 0.53
KDM4E B2RXH2 5/20 0.53
HSD17B10 Q99714 5/20 0.53
MAPK1 P28482 1/20 0.53
APEX1 P27695 4/20 0.53
HTT P42858 2/20 0.50
ALOX15 P16050 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL39857 0.98 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EHSD17B10MAPK1
SCHEMBL6904971 0.90 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EHSD17B10MAPK1
SCHEMBL14049507 0.88 APEX1 (0.48) ALDH1A1HPGDKDM4EHSD17B10MAPK1
Hydrochloric Acid SCHEMBL4229730 0.88 MAPT (0.58) ALDH1A1HPGDKDM4EHSD17B10MAPK1
SCHEMBL4496440 0.88 APEX1 (0.51) ALDH1A1HPGDKDM4EHSD17B10MAPK1
SCHEMBL305252 0.87 ALDH1A1 (0.70) ALDH1A1HPGDKDM4EHSD17B10MAPK1
SCHEMBL30675634 0.87 ALDH1A1 (0.70) ALDH1A1HPGDKDM4EHSD17B10MAPK1
Hydrochloric Acid SCHEMBL11052815 0.86 TSHR (0.55) ALDH1A1HPGDKDM4EHSD17B10MAPK1
Hydrochloric Acid SCHEMBL29744423 0.86 MMP2 (0.53) ALDH1A1HPGDKDM4EHSD17B10MAPK1
Hydrochloric Acid SCHEMBL2202243 0.86 TDP1 (0.59) ALDH1A1HPGDKDM4EHSD17B10MAPK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051968-B1 LUMINESCENT MACROCYCLIC LANTHANIDE COMPLEXES UNIV CALIFORNIA (US) 2020-04-29 EP disclosed
EP-2423201-B1 Luminescent macrocyclic lanthanide complexes UNIV CALIFORNIA (US) 2017-10-04 EP disclosed
US-8729258-B2 Luminescent macrocyclic lanthanide complexes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-05-20 US disclosed
US-20120329174-A1 LUMINESCENT MACROCYCLIC LANTHANIDE COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-27 US disclosed
US-8173800-B2 Hydroxy-isophthalamide moieties; antibodies; high stability, luminescence; kits THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-08 US disclosed
EP-2423201-A1 Luminescent macrocyclic lanthanide complexes The Regents of The University of California (US) 2012-02-29 EP disclosed
EP-2051968-A2 LUMINESCENT MACROCYCLIC LANTHANIDE COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-29 EP disclosed
US-20080213917-A1 LUMINESCENT MACROCYCLIC LANTHANIDE COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-04 US disclosed
WO-2008063721-A2 LUMINESCENT MACROCYCLIC LANTHANIDE COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-05-29 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 (2 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-20080213917-A1 LUMINESCENT MACROCYCLIC LANTHANIDE COMPLEXES SSB, HACD3, CLTA CA2 490/4885CASR 600/4885ALDH1A1 4586/4885
US-20120329174-A1 LUMINESCENT MACROCYCLIC LANTHANIDE COMPLEXES SSB, HACD3, CLTA CA2 490/4885CASR 600/4885ALDH1A1 4586/4885

“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.