SCHEMBL4444739

SCHEMBL4444739

Oc1ccc(-c2ccc(F)s2)cc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.70
ESR1 P03372 3/20 0.70
ESR2 Q92731 2/20 0.70
HSD17B1 P14061 11/20 0.58
HSD17B2 P37059 11/20 0.58
ESRRG P62508 2/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL1181642 0.83 APP (1.00) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL4778599 0.80 APP (0.94) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL15380796 0.80 APP (0.94) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL18876439 0.76 HSD17B1 (0.48) HSD17B1HSD17B2CYP3A4CYP2C19
SCHEMBL13335779 0.74 APP (0.81) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL19439597 0.74 DAO (0.42)
SCHEMBL12973258 0.73 APP (1.00) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL21143013 0.73 APP (0.34) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL4454574 0.73 APP (0.70) APPESR1ESR2HSD17B1HSD17B2
SCHEMBL14729649 0.73 APP (0.70) 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 2 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
CN-101068803-A Biaryloxymethylarene carboxylic acid compounds HOFFMANN LA ROCHE (CH) 2007-11-07 CN 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-20090156635-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.