SCHEMBL4345878

SCHEMBL4345878

CCOc1ccc(CC(OC(C)C)C(=O)O)cc1NC(=O)COc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.50
PPARG P37231 11/20 0.48
PPARD Q03181 8/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 1/20 0.45
PSMB5 P28074 2/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL4333407 0.92 PPARA (0.47) PPARAPPARGPPARDCYP2C19KMT2A
SCHEMBL4336292 0.92 PPARA (0.58) PPARAPPARGPPARDKMT2AALDH1A1
SCHEMBL4336526 0.89 PPARG (0.45) PPARAPPARGPPARDCYP1A2CYP2C9
SCHEMBL4337069 0.88 PPARG (0.46) PPARAPPARGPPARDCYP1A2CYP2C19
SCHEMBL4346189 0.85 CYP1A2 (0.47) PPARAPPARGPPARDCYP1A2CYP2C9
SCHEMBL4329938 0.84 KMT2A (0.52) PPARAPPARGPPARDKMT2AALDH1A1
SCHEMBL4328620 0.82 L3MBTL1 (0.48) PPARAPPARGPPARDCYP1A2CYP2C9
SCHEMBL4335055 0.81 SMN1; SMN2 (0.52) PPARAPPARGPPARDPSMB5HPGD
SCHEMBL4347175 0.80 MEN1 (0.50) CYP1A2CYP2C9CYP2C19KDM4EKMT2A
SCHEMBL4329366 0.80 SMN1; SMN2 (0.53) PPARACYP1A2CYP2C9CYP2C19KMT2A

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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 PPARA 339/4885PPARG 379/4885PPARD 753/4885

“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.