SCHEMBL2806958

SCHEMBL2806958

COC(=O)c1ccc(-c2ccc(C)c(C=O)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 12/20 0.73
ALDH1A1 P00352 2/20 0.53
EGFR P00533 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SLC2A1 P11166 1/20 0.45

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
SCHEMBL3507686 0.87 ALDH1A1 (0.61) ERN1ALDH1A1TDP1CA12CA1
SCHEMBL12767865 0.84 ERN1 (1.00) ERN1ALDH1A1EGFRCA12CA1
SCHEMBL15600624 0.84 ERN1 (0.73) ERN1ALDH1A1
SCHEMBL4599080 0.83 ERN1 (0.72) ERN1ALDH1A1
SCHEMBL13830583 0.82 TDP1 (0.57) ERN1ALDH1A1EGFRTDP1CA12
SCHEMBL14525307 0.81 ERN1 (0.68) ERN1ALDH1A1EGFRCA12CA1
SCHEMBL19111153 0.79 EGFR (0.65) ERN1ALDH1A1EGFRTDP1CA12
SCHEMBL23501631 0.78 ALDH1A1 (0.52) ERN1ALDH1A1TDP1CA12CA1
SCHEMBL19387238 0.77 CA1 (0.70) ERN1ALDH1A1EGFRTDP1CA12
Biphenyl Dimethyl Dicarboxylate SCHEMBL68521 0.77 CA1 (0.70) ERN1ALDH1A1EGFRTDP1CA12

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-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators SMITHKLINE BEECHAM CORPORATION (US) 2010-09-23 US disclosed
US-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators SMITHKLINE BEECHAM CORPORATION (US) 2010-09-23 US disclosed
US-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators SMITHKLINE BEECHAM CORPORATION (US) 2010-09-23 US disclosed
EP-2081894-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SmithKline Beecham Corporation (US) 2009-07-29 EP disclosed
WO-2008028118-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SMITHKLINE BEECHAM CORPORAITON (US) 2008-03-06 WO disclosed
WO-2008028118-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SMITHKLINE BEECHAM CORPORAITON (US) 2008-03-06 WO 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-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators PPARD, PPARA, PPARG ERN1 4218/4885ALDH1A1 402/4885EGFR 1315/4885

“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.