SCHEMBL4556560

SCHEMBL4556560

Oc1ccc(-c2ccccc2)c2c1OCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.45
ALOX5 P09917 2/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
BCL2L1 Q07817 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
PGR P06401 1/20 0.37
AKR1B1 P15121 1/20 0.37
MCL1 Q07820 1/20 0.37
CA12 O43570 1/20 0.36
TNF P01375 1/20 0.36
CA9 Q16790 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
ESR2 Q92731 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL2265157 0.78 AOC3 (0.44) ALOX5ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL13346867 0.77 ESR2 (0.40) ALDH1A1HPGDCYP1A2CYP1B1ESR2
SCHEMBL11257546 0.73 BACE1 (0.41) BACE1ALOX5ALDH1A1HPGDBCL2L1
SCHEMBL11390274 0.71 ABCG2 (0.50) CYP1A2CYP1B1
SCHEMBL4556562 0.70 HSP90AA1 (0.49) ALOX5CYP1A2CYP1B1ADORA3ADORA2A
SCHEMBL14302835 0.69 CYP1A2 (0.51) ALOX5CYP1A2CYP1B1ADORA3ADORA2A
SCHEMBL5684239 0.69 CYP1A2 (0.48) ALOX5CYP1A2CYP1B1ADORA3ADORA2A
SCHEMBL13210303 0.68 BACE1 (0.59) BACE1ALOX5ALDH1A1HPGDBCL2L1
SCHEMBL4860941 0.67 MAOB (0.38) ALDH1A1ALOX15MCL1ESR2
SCHEMBL5726097 0.67 CYP1A2 (0.36) CYP1A2CYP1B1

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-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
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 BACE1 377/4885ALOX5 1196/4885ALDH1A1 633/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A BACE1 377/4885ALOX5 1196/4885ALDH1A1 633/4885

“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.