SCHEMBL4556561

SCHEMBL4556561

Oc1ccc(-c2ccc(C(O)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.61
ESR2 Q92731 6/20 0.61
CYP17A1 P05093 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP19A1 P11511 1/20 0.56
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
MMP3 P08254 1/20 0.50
BCL2L1 Q07817 1/20 0.50
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
ABL1 P00519 1/20 0.48
ABCB1 P08183 1/20 0.48
BCR P11274 1/20 0.48
HIF1A Q16665 3/20 0.46
TAAR1 Q96RJ0 2/20 0.46
NFKB1 P19838 2/20 0.46
HTR3A P46098 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL118557 0.91 ESR1 (0.55) ESR1ESR2CYP17A1CYP3A4CYP19A1
SCHEMBL10445993 0.80 ESR1 (0.65) ESR1ESR2CYP17A1CYP3A4CYP19A1
SCHEMBL9263358 0.79 ESR1 (0.56) ESR1ESR2CYP17A1CYP3A4CYP19A1
SCHEMBL6292004 0.78 ESR1 (1.00) ESR1ESR2CYP3A4MMP3BCL2L1
SCHEMBL9090705 0.78 ESR1 (1.00) ESR1ESR2CYP3A4MMP3BCL2L1
Hydroquinone SCHEMBL5712110 0.78 ESR1 (1.00) ESR1ESR2CYP3A4MMP3BCL2L1
SCHEMBL30826784 0.78 ESR1 (1.00) ESR1ESR2CYP3A4MMP3BCL2L1
SCHEMBL2376299 0.78 ESR1 (0.35) ESR1ESR2CYP3A4PDCD1CD274
SCHEMBL15632 0.78 ESR1 (1.00) ESR1ESR2CYP3A4MMP3BCL2L1
SCHEMBL368272 0.78 ESR1 (1.00) ESR1ESR2CYP3A4MMP3BCL2L1

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 ESR1 1085/4885ESR2 232/4885CYP17A1 12/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A ESR1 1085/4885ESR2 232/4885CYP17A1 12/4885

“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.