Alcohol

Alcohol

SCHEMBL6156323

CCO.O=C(O)c1ccc(NCC(=O)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Alcohol. 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
SMN1; SMN2 Q16637 6/20 0.58
ALDH1A1 P00352 5/20 0.58
AGTR1 P30556 3/20 0.58
RAB9A P51151 3/20 0.58
HPGD P15428 2/20 0.58
NPC1 O15118 1/20 0.58
MAPT P10636 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
AKR1C3 P42330 1/20 0.54
KDM4E B2RXH2 2/20 0.50
SRD5A2 P31213 1/20 0.50
USP2 O75604 1/20 0.50
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
GAA P10253 2/20 0.48
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
HAO1 Q9UJM8 1/20 0.47
BCL2 P10415 1/20 0.47
PTPN1 P18031 1/20 0.46

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
SCHEMBL31722027 0.76 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1AGTR1RAB9AHPGD
SCHEMBL5796774 0.76 MAPT (0.48) SMN1; SMN2ALDH1A1AGTR1RAB9AHPGD
SCHEMBL11257944 0.75 FFAR1 (0.71) ALDH1A1HPGDL3MBTL1KMT2AEPHX2
SCHEMBL593746 0.75 AKR1C3 (0.73) SMN1; SMN2ALDH1A1AGTR1RAB9AHPGD
SCHEMBL19707558 0.74 RAB9A (0.69) SMN1; SMN2ALDH1A1AGTR1RAB9AHPGD
SCHEMBL8805616 0.74 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1AGTR1RAB9AHPGD
SCHEMBL6201893 0.74 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1AGTR1RAB9AHPGD
SCHEMBL11805893 0.74 RAB9A (0.65) SMN1; SMN2ALDH1A1AGTR1RAB9AHPGD
SCHEMBL1622815 0.73 FFAR1 (0.59) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
Ethyl Chloride SCHEMBL1241195 0.73 MAPT (0.62) SMN1; SMN2ALDH1A1AGTR1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222264-A1 Anti-rhinovirus active agents UNIHART CORPORATION (IE) 2005-10-06 US claimed
EP-1501492-A1 ANTI-RHINOVIRUS ACTIVE AGENTS Unihart Corporation (IE) 2005-02-02 EP claimed
WO-2003094906-A1 ANTI-RHINOVIRUS ACTIVE AGENTS UNIHART CORPORATION (IE) 2003-11-20 WO claimed
US-20050222264-A1 Anti-rhinovirus active agents UNIHART CORPORATION (IE) 2005-10-06 US disclosed
EP-1267858-B1 DIPHENYL KETOALDEHYDE DERIVATIVES WITH ANTI-HIV ACTIVITY UNIHART CORP (IE) 2004-07-28 EP disclosed
US-20040058999-A1 Compounds with anti-hiv activity UNIHART CORPORATION (IE) 2004-03-25 US disclosed
US-4536517-A ANTIDIABETIC, ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1985-08-20 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050222264-A1 Anti-rhinovirus active agents GLO1, RNASEH1, GLB1 SMN1; SMN2 4270/4885ALDH1A1 1357/4885AGTR1 1226/4885

“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.