SCHEMBL4452335

SCHEMBL4452335

CCc1ccc(-c2ccc(O)cc2)s1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.61
ESR1 P03372 3/20 0.61
ESR2 Q92731 3/20 0.61
HSD17B1 P14061 7/20 0.49
HSD17B2 P37059 7/20 0.49
TRPV1 Q8NER1 2/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
ESRRG P62508 1/20 0.40
PRKCI P41743 1/20 0.40

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
SCHEMBL13420010 0.87 CYP2A6 (0.47) APPESR1ESR2CYP2E1CYP3A4
SCHEMBL2767502 0.85 CYP2E1 (0.45) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL5349623 0.85 CYP2E1 (0.45) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL4452318 0.85 APP (0.57) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL10332066 0.82 CYP2E1 (0.42) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL6657730 0.80 APP (0.52) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL13026609 0.80 IKBKB (0.44) APPESR1ESR2CYP2E1CYP3A4
SCHEMBL10084289 0.79 CYP2A6 (0.64) HSD17B1HSD17B2TRPV1CYP2E1CYP3A4
SCHEMBL8984275 0.79 ESR1 (0.51) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL13197660 0.78 CYP3A4 (0.40) APPESR1ESR2HSD17B1HSD17B2

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
US-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GILLESPIE PAUL 2009-06-18 US disclosed
US-7524870-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2009-04-28 US disclosed
CN-101068803-A Biaryloxymethylarene carboxylic acid compounds HOFFMANN LA ROCHE (CH) 2007-11-07 CN disclosed
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GILLESPIE PAUL 2006-06-08 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 (2 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-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, GSK3A APP 1359/4885ESR1 1085/4885ESR2 232/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A APP 1359/4885ESR1 1085/4885ESR2 232/4885

“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.