SCHEMBL477466

SCHEMBL477466

COc1ccc([C@H](O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.61
CA4 P22748 1/20 0.54
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
LTA4H P09960 1/20 0.52
ALDH1A1 P00352 2/20 0.52
SRD5A2 P31213 1/20 0.50
PBRM1 Q86U86 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ATM Q13315 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
PAX8 Q06710 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CES2 O00748 1/20 0.48

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
SCHEMBL477621 1.00 ACP3 (0.61) ACP3CA4GAATSHRMAPK1
SCHEMBL477389 1.00 ACP3 (0.61) ACP3CA4GAATSHRMAPK1
Acetic Acid SCHEMBL28833358 0.92 ACP3 (0.59) ACP3GAATSHRMAPK1ALDH1A1
SCHEMBL120187 0.91 CA12 (0.58) ACP3GAATSHRMAPK1ALDH1A1
SCHEMBL6873530 0.87 ACP3 (0.61) ACP3CA4LTA4HALDH1A1PBRM1
Diphenylmethanol SCHEMBL11723951 0.85 LTA4H (0.52) ACP3GAATSHRLTA4HALDH1A1
SCHEMBL3284398 0.85 AKR1C3 (0.57) ACP3TSHRCYP1A2L3MBTL1MAPT
SCHEMBL11723955 0.85 FFAR1 (0.57) NPC1MAPTRAB9AKMT2A
SCHEMBL29975972 0.84 LTA4H (0.58) ACP3GAATSHRMAPK1LTA4H
Diphenylmethanol SCHEMBL11867320 0.84 SMN1; SMN2 (0.52) MAPK1ALDH1A1SRD5A2L3MBTL1MAPT

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
CN-111433357-B Alcohol dehydrogenase mutant and application thereof in synthesis of diaryl chiral alcohol 江南大学 2022-11-11 CN disclosed
US-8563786-B2 Method for producing optically active alcohol MITSUI CHEMICALS, INC. (JP) 2013-10-22 US disclosed
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-12 US disclosed
EP-2412694-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL Mitsui Chemicals, Inc. (JP) 2012-02-01 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 (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-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, FHIT ACP3 790/4885CA4 1088/4885GAA 2372/4885

“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.