SCHEMBL4339104

SCHEMBL4339104

CCOc1ccc(CC(OC(C)C)C(=O)O)cc1NC(=O)C(C)Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.45
PPARG P37231 9/20 0.45
PPARD Q03181 4/20 0.45
FFAR1 O14842 1/20 0.39
NR1H4 Q96RI1 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
EPHX2 P34913 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR1I2 O75469 1/20 0.36
EPHX1 P07099 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
SCHEMBL4342104 0.91 PPARA (0.44) PPARAPPARGPPARDFFAR1NR1H4
SCHEMBL4335183 0.90 PPARA (0.42) PPARAPPARGPPARDNR1H4CYP1A2
SCHEMBL4333407 0.86 PPARA (0.47) PPARAPPARGPPARDNR1H4CYP2C19
SCHEMBL4331663 0.81 SMN1; SMN2 (0.50) PPARAALDH1A1TSHRMAPK1TP53
SCHEMBL4328049 0.81 ALDH1A1 (0.48) PPARAPPARGPPARDFFAR1NR1H4
SCHEMBL4345878 0.79 PPARA (0.50) PPARAPPARGPPARDCYP1A2CYP2C9
SCHEMBL4329938 0.78 KMT2A (0.52) PPARAPPARGPPARDALDH1A1TSHR
SCHEMBL4336526 0.76 PPARG (0.45) PPARAPPARGPPARDFFAR1CYP1A2
SCHEMBL4346189 0.76 CYP1A2 (0.47) PPARAPPARGPPARDCYP1A2CYP2C9
SCHEMBL4327205 0.75 ATM (0.42) PPARAPPARGPPARDALDH1A1TSHR

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.