SCHEMBL3558975

SCHEMBL3558975

CCc1cc(-c2ccccc2CC)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.53
TRPA1 O75762 1/20 0.49
APP P05067 1/20 0.48
AKR1B1 P15121 1/20 0.47
ALOX5 P09917 1/20 0.46
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
AR P10275 1/20 0.44
BACE1 P56817 1/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
CYP1A2 P05177 1/20 0.42
MCL1 Q07820 1/20 0.42
PTPN5 P54829 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
HSD17B2 P37059 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ABL1 P00519 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
SCHEMBL28149290 0.89 APP (0.64) HSD17B1TRPA1APPALOX5ALOX5AP
SCHEMBL15326993 0.86 TLR8 (0.49) HSD17B1TRPA1APPESR1ESR2
SCHEMBL9199035 0.86 AKR1B1 (0.60) HSD17B1APPAKR1B1ALOX5ESR1
SCHEMBL3953461 0.82 HSD17B1 (0.71) HSD17B1TRPA1APPALOX5ESR1
SCHEMBL27182940 0.82 ALOX5 (0.52) ALOX5ARGABRA1GABRB2PPARG
SCHEMBL1023129 0.81 HSD17B1 (0.66) HSD17B1ALOX5ESR1ESR2AR
SCHEMBL13678958 0.80 HSD17B1 (0.75) HSD17B1APPALOX5ESR1ESR2
SCHEMBL1292802 0.79 ABL1 (0.50) HSD17B1TRPA1ESR2BACE1GABRA1
SCHEMBL16581416 0.79 HSD17B1 (0.62) HSD17B1APPESR1ESR2AR
SCHEMBL27183350 0.78 IDO1 (0.48) TRPA1ALOX5ARGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842825-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-11-30 US disclosed
US-7700632-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2010-04-20 US disclosed
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG AN 2008-10-16 US disclosed
US-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR CHU CHANG A 2008-05-08 US disclosed
US-7355049-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activator HOFFMANN-LA ROCHE INC. (US) 2008-04-08 US disclosed
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 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 (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-20080108662-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 HSD17B1 17/4885TRPA1 4804/4885APP 1453/4885
US-20080255198-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATOR GYS2, PYGL, GYS1 HSD17B1 17/4885TRPA1 4804/4885APP 1453/4885

“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.