SCHEMBL3412378

SCHEMBL3412378

COC(=O)c1cccc(-c2ccc(OC(C)C)c(CNC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.44
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PGGT1B P53609 1/20 0.42
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HDAC1 Q13547 1/20 0.41
PLAU P00749 3/20 0.40
ERN1 O75460 2/20 0.40
BDKRB1 P46663 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
MAPK1 P28482 1/20 0.39
KCNA5 P22460 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL3416346 0.89 PPARG (0.53) PPARGPPARDPPARAFNTAFNTB
SCHEMBL3414304 0.87 PPARD (0.43) PPARGPPARDPPARAFNTAFNTB
SCHEMBL3413782 0.85 PPARD (0.47) PPARGPPARDPPARAFNTAFNTB
SCHEMBL13433374 0.84 KCNA5 (0.39) WDR5PPARDPPARAHDAC1BDKRB1
SCHEMBL3415342 0.84 ERN1 (0.52) FNTAFNTBPGGT1BCA12CA9
SCHEMBL3416928 0.83 PPARD (0.45) PPARGPPARDPPARAHDAC1MTNR1B
SCHEMBL3415048 0.83 CA12 (0.44) FNTAFNTBPGGT1BCA12CA9
SCHEMBL3414067 0.82 KCNA5 (0.39) WDR5PPARGPPARDPPARAHDAC1
SCHEMBL3415307 0.81 PPARD (0.63) PPARGPPARDPPARAHDAC1ERN1
SCHEMBL2574484 0.80 HDAC1 (0.59) FNTAFNTBPGGT1BCA12CA9

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 5 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-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 WDR5 2860/4885PPARG 238/4885PPARD 689/4885

“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.