Alcohol

Alcohol

SCHEMBL598781

CCO.Cc1ccccc1C(O)c1ccccc1C

nearest known ligand 0.53

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
GAA P10253 1/20 0.50
ESR1 P03372 1/20 0.46
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
ACP3 P15309 1/20 0.40
TSHR P16473 2/20 0.39
ACHE P22303 1/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALOX15 P16050 1/20 0.37
LMNA P02545 1/20 0.37
MC4R P32245 1/20 0.36
ATM Q13315 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35

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
SCHEMBL598722 0.91 GAA (0.57) GAAESR1KDM4EACP3TSHR
SCHEMBL8496184 0.80 GABRA1 (0.52) GAAESR1KDM4EACP3TSHR
SCHEMBL13993318 0.80 ESR1 (0.59) GAAESR1KDM4ECYP1A2ACP3
SCHEMBL11864690 0.78 ALDH1A1 (0.50) GAAESR1ACP3TSHRACHE
SCHEMBL6962764 0.78 CYP3A4 (0.48) GAAESR1KDM4EACP3TSHR
SCHEMBL3073519 0.78 ESR1 (0.52) GAAESR1CYP1A2ACP3TSHR
SCHEMBL342736 0.78 ESR1 (0.52) GAAESR1CYP1A2ACP3TSHR
SCHEMBL231827 0.78 ESR1 (0.52) GAAESR1CYP1A2ACP3TSHR
SCHEMBL30507724 0.78 ESR1 (0.56) GAAESR1KDM4ECYP1A2ACP3
SCHEMBL6481460 0.77 ESR1 (0.46) GAAESR1KDM4ECYP1A2ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251316-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID TOKYO UNIV OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2018-02-21 EP disclosed
US-8115008-B2 Method for producing optically active ester and method for producing optically active carboxylic acid TOKYO UNIVERSITY OF SCIENCE EDUCATION FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2012-02-14 US disclosed
EP-2251316-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID Tokyo University Of Science Educational Foundation Administrative Organization (JP) 2010-11-17 EP disclosed
US-20100234610-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2010-09-16 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 (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-20100234610-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ACADM, ADH5, ALDH7A1 GAA 251/4885ESR1 1344/4885KDM4E 2429/4885

“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.