SCHEMBL477467

SCHEMBL477467

O[C@H](/C=C/c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
MAOB P27338 1/20 0.44
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HDAC3 O15379 1/20 0.41
TNKS O95271 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL477645 1.00 CYP1A2 (0.57) CYP1A2MAOBCYP3A4ALDH1A1LMNA
SCHEMBL477646 1.00 CYP1A2 (0.57) CYP1A2MAOBCYP3A4ALDH1A1LMNA
SCHEMBL477469 1.00 CYP1A2 (0.57) CYP1A2MAOBCYP3A4ALDH1A1LMNA
SCHEMBL10411854 0.95 CYP1A2 (0.52) CYP1A2MAOBCYP3A4LMNACYP2C9
SCHEMBL28403553 0.88 ALOX15 (0.50) CYP1A2MAOBALDH1A1LMNAMAPT
SCHEMBL10247169 0.86 MEN1 (0.50) CYP1A2CYP3A4ALDH1A1LMNAMAPT
SCHEMBL6228450 0.86 MAPT (0.46) CYP1A2MAOBCYP3A4ALDH1A1LMNA
SCHEMBL4631562 0.86 CYP3A4 (0.47) CYP1A2CYP3A4ALDH1A1MAPTCYP2C9
SCHEMBL4631564 0.86 CYP3A4 (0.47) CYP1A2CYP3A4ALDH1A1MAPTCYP2C9
SCHEMBL4630867 0.86 CYP3A4 (0.51) CYP1A2CYP3A4ALDH1A1MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP1A2 37/4885MAOB 409/4885CYP3A4 15/4885

“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.