SCHEMBL12829142

SCHEMBL12829142

COc1ccc(-c2cccc(OCC(=O)O)c2)cc1/C=C/c1nc(-c2ccc(Cl)cc2Cl)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.41
BACE1 P56817 1/20 0.40
PPARD Q03181 9/20 0.40
PPARA Q07869 3/20 0.40
LPAR2 Q9HBW0 1/20 0.39
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FFAR1 O14842 4/20 0.38
DHFR P00374 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 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
SCHEMBL12828683 0.93 LPAR2 (0.41) PTGDR2PPARDPPARALPAR2TDP1
SCHEMBL1481081 0.89 PTGDR2 (0.43) PTGDR2LPAR2FFAR1
SCHEMBL1481080 0.89 PTGDR2 (0.43) PTGDR2LPAR2FFAR1
SCHEMBL12828681 0.85 LPAR2 (0.42) LPAR2TDP1LMNA
SCHEMBL1480954 0.85 PTGDR2 (0.43) PTGDR2LPAR2FFAR1TDP1TSHR
SCHEMBL1480949 0.85 PTGDR2 (0.43) PTGDR2LPAR2FFAR1TDP1TSHR
SCHEMBL12829209 0.84 FFAR4 (0.40) FFAR1DHFR
SCHEMBL12828682 0.82 DPP4 (0.38) TDP1LMNA
SCHEMBL1481042 0.81 PPARD (0.43) PPARDFABP3FABP4LMNA
SCHEMBL1481040 0.81 PPARD (0.43) PPARDFABP3FABP4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 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 (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-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ PTGDR2 1829/4885BACE1 4200/4885PPARD 2359/4885

“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.