SCHEMBL2809167

SCHEMBL2809167

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.48
ERN1 O75460 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA12 O43570 4/20 0.45
CA9 Q16790 4/20 0.45
CA14 Q9ULX7 4/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
SLC2A1 P11166 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CA7 P43166 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
PTPN1 P18031 1/20 0.42
MITF O75030 1/20 0.42

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
SCHEMBL2809056 0.89 EGFR (0.52) EGFRERN1TDP1MAPTLMNA
SCHEMBL7718912 0.87 ALDH1A1 (0.51) TDP1MAPTLMNAGAACA1
SCHEMBL13830583 0.80 TDP1 (0.57) EGFRERN1TDP1MAPTLMNA
SCHEMBL14524960 0.80 EGFR (0.52) EGFRERN1TDP1MAPTLMNA
SCHEMBL7718888 0.78 CA1 (0.49) TDP1MAPTLMNAGAACA1
SCHEMBL19111153 0.78 EGFR (0.65) EGFRERN1TDP1MAPTLMNA
SCHEMBL8873885 0.77 LOXL2 (0.59) TDP1MAPTGAACA1CA2
SCHEMBL19387238 0.76 CA1 (0.70) EGFRERN1TDP1MAPTCA1
Biphenyl Dimethyl Dicarboxylate SCHEMBL68521 0.76 CA1 (0.70) EGFRERN1TDP1MAPTCA1
SCHEMBL12788053 0.76 ALDH1A1 (0.56) TDP1MAPTLMNAGAACA1

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-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

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 EGFR 1315/4885ERN1 4218/4885TDP1 3904/4885

“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.