SCHEMBL3418796

SCHEMBL3418796

COc1ccc(-c2ccc(OC)c(C(=O)O)c2)cc1CNC(=O)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.63
PPARA Q07869 5/20 0.63
PPARG P37231 4/20 0.63
HTT P42858 1/20 0.48
MCHR1 Q99705 6/20 0.46
TRPV1 Q8NER1 1/20 0.44
EPHX2 P34913 2/20 0.44
SERPINE1 P05121 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL3416652 0.89 PPARD (0.68) PPARDPPARAPPARGHTTMCHR1
SCHEMBL13460925 0.85 PPARG (0.60) PPARDPPARAPPARGHTTMCHR1
SCHEMBL5032986 0.78 PPARA (0.68) PPARDPPARAPPARGMCHR1TRPV1
SCHEMBL6502631 0.76 PPARA (0.75) PPARDPPARAPPARG
SCHEMBL3418889 0.76 PPARG (0.45) PPARDPPARAPPARGHTTEPHX2
SCHEMBL6504915 0.75 PPARG (0.75) PPARDPPARAPPARG
SCHEMBL6426198 0.74 PPARA (0.62) PPARDPPARAPPARGMCHR1MEN1
SCHEMBL5032977 0.73 PPARA (0.61) PPARDPPARAPPARGMCHR1TRPV1
SCHEMBL3416041 0.72 LMNA (0.50) PPARDPPARAPPARG
SCHEMBL3418634 0.71 PPARD (0.69) PPARDPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 EP 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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR PPARD 689/4885PPARA 130/4885PPARG 238/4885

“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.