Hydrochloric Acid

Hydrochloric Acid

SCHEMBL514496

Cl.O=C(O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.65

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
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
NR4A2 P43354 2/20 0.56
NR4A1 P22736 1/20 0.56
NR4A3 Q92570 1/20 0.56
RXRA P19793 3/20 0.53
HPGD P15428 3/20 0.53
RXRB P28702 2/20 0.53
RXRG P48443 1/20 0.53
MRGPRX4 Q96LA9 3/20 0.52
NPC1 O15118 1/20 0.52
MITF O75030 1/20 0.52
TP53 P04637 1/20 0.52
XBP1 P17861 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PTGER1 P34995 2/20 0.52

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
SCHEMBL793724 0.98 MEN1 (0.65) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL14660694 0.97 MEN1 (0.63) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL15673277 0.91 RXRA (0.62) MEN1KMT2ARXRAHPGDMRGPRX4
SCHEMBL2227072 0.90 LMNA (0.56) MEN1KMT2ANR4A2NR4A1NR4A3
Hydrochloric Acid SCHEMBL16143333 0.89 RXRA (0.60) MEN1KMT2ARXRAHPGDMRGPRX4
SCHEMBL28236202 0.88 KDM4E (0.53) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL15369572 0.88 RXRA (0.58) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL17191962 0.88 MRGPRX4 (0.58) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL6659601 0.88 ATM (0.61) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL11762649 0.87 RXRA (0.61) MEN1KMT2ARXRAHPGDRXRB

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
US-9399631-B2 Polyphenol proteasome inhibitors, synthesis, and methods of use UNIVERSITY OF SOUTH FLORIDA (US) 2016-07-26 US disclosed
US-20140045931-A1 POLYPHENOL PROTEASOME INHIBITORS, SYNTHESIS, AND METHODS OF USE THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2014-02-13 US disclosed
US-8563607-B2 Polyphenol proteasome inhibitors, synthesis, and methods of use UNIVERSITY OF SOUTH FLORIDA (US) 2013-10-22 US disclosed
US-20120029067-A1 Polyphenol Proteasome Inhibitors, Synthesis, and Methods of Use UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-02 US disclosed
US-8058310-B2 Polyphenol proteasome inhibitors, synthesis, and methods of use UNIVERSITY OF SOUTH FLORIDA (US) 2011-11-15 US disclosed
US-7767711-B2 Polyphenol proteasome inhibitors, synthesis, and methods of use UNIVERSITY OF SOUTH FLORIDA (US) 2010-08-03 US disclosed
US-20100173985-A1 Polyphenol proteasome inhibitors, synthesis, and methods of use UNIVERSITY OF SOUTH FLORIDA (US) 2010-07-08 US disclosed
US-7358383-B2 Polyphenol proteasome inhibitors, synthesis, and methods of use UNIVERSITY OF SOUTH FLORIDA (US) 2008-04-15 US disclosed
US-20080015248-A1 Polyphenol proteasome inhibitors, synthesis, and methods of use DOU Q P 2008-01-17 US disclosed
US-20040186167-A1 Polyphenol proteasome inhibitors, synthesis, and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2004-09-23 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140045931-A1 POLYPHENOL PROTEASOME INHIBITORS, SYNTHESIS, AND METHODS OF USE PSMC1, PSMB5, PSMC5 MEN1 3139/4885KMT2A 1155/4885NR4A2 2665/4885
US-20080015248-A1 Polyphenol proteasome inhibitors, synthesis, and methods of use PSMC1, PSMB5, PSMC5 MEN1 3139/4885KMT2A 1155/4885NR4A2 2665/4885
US-20100173985-A1 Polyphenol proteasome inhibitors, synthesis, and methods of use PSMC1, PSMB5, PSMC5 MEN1 3139/4885KMT2A 1155/4885NR4A2 2665/4885
US-20120029067-A1 Polyphenol Proteasome Inhibitors, Synthesis, and Methods of Use PSMC1, PSMB5, PSMC5 MEN1 3139/4885KMT2A 1155/4885NR4A2 2665/4885
US-20040186167-A1 Polyphenol proteasome inhibitors, synthesis, and methods of use PSMC1, PSMB5, PSMC5 MEN1 3139/4885KMT2A 1155/4885NR4A2 2665/4885

“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.