SCHEMBL477485

SCHEMBL477485

OCC1(c2cc3ccccc3s2)C=CC=CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.42
CYP2A6 P11509 1/20 0.41
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
THPO P40225 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6965068 0.72 SLC6A2 (0.35) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL7453568 0.71 GAA (0.34) TSHR
SCHEMBL27793512 0.66 HDAC4 (0.33)
Phosphoric Acid SCHEMBL28852137 0.65 ACP3 (0.37) MEN1SLC6A3KMT2A
SCHEMBL28201252 0.65 SLC6A4 (0.39) SLC6A3
SCHEMBL27880024 0.64 CHRNA1 (0.33) SLC6A3
SCHEMBL23878715 0.63 SIGMAR1 (0.60) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL9720727 0.63 ESR2 (0.34)
SCHEMBL3838198 0.63
SCHEMBL29892064 0.63 SIGMAR1 (0.51) SIGMAR1CHRM2CHRM4CHRM5CHRM1

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 SIGMAR1 2188/4885CYP2A6 66/4885CHRM2 1383/4885

“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.