SCHEMBL12828683

SCHEMBL12828683

COc1ccc(-c2ccc(OCC(=O)O)cc2)cc1/C=C/c1nc(-c2ccc(Cl)cc2Cl)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 1/20 0.41
PTGDR2 Q9Y5Y4 5/20 0.40
PPARD Q03181 5/20 0.39
MAP4K4 O95819 1/20 0.39
HTT P42858 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
PTPN1 P18031 1/20 0.36
ACACA Q13085 1/20 0.36
MARS1 P56192 1/20 0.35

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
SCHEMBL12829142 0.93 PTGDR2 (0.41) LPAR2PTGDR2PPARDTDP1TSHR
SCHEMBL12828681 0.93 LPAR2 (0.42) LPAR2TDP1ACACA
SCHEMBL12829209 0.91 FFAR4 (0.40) PTPN1
SCHEMBL1480949 0.91 PTGDR2 (0.43) LPAR2PTGDR2HTTTDP1TSHR
SCHEMBL1480954 0.91 PTGDR2 (0.43) LPAR2PTGDR2HTTTDP1TSHR
SCHEMBL12828682 0.88 DPP4 (0.38) HTTTDP1PTPN1
SCHEMBL1481081 0.86 PTGDR2 (0.43) LPAR2PTGDR2
SCHEMBL1481080 0.86 PTGDR2 (0.43) LPAR2PTGDR2
SCHEMBL1481793 0.84 LPAR2 (0.42) LPAR2PTGDR2TDP1
SCHEMBL1481791 0.84 LPAR2 (0.42) LPAR2PTGDR2TDP1

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 LPAR2 2623/4885PTGDR2 1829/4885PPARD 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.