SCHEMBL4335811

SCHEMBL4335811

COc1cc(C#N)ccc1OCC(O)COc1cccc(CC(OC(C)C)C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
ICMT O60725 3/20 0.42
ATM Q13315 1/20 0.40
MMP1 P03956 5/20 0.39
AR P10275 2/20 0.39
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
MMP2 P08253 2/20 0.37
MMP3 P08254 2/20 0.37
MMP9 P14780 2/20 0.37
MMP12 P39900 2/20 0.37
MMP13 P45452 2/20 0.37

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
SCHEMBL13819368 0.90 ICMT (0.47) PPARDPPARAICMTATMAR
SCHEMBL4329073 0.89 FFAR1 (0.37) PPARDPPARAPPARGARPDCD1
SCHEMBL4333221 0.89 CYP11B1 (0.43) PPARDPPARAPPARGMMP2MMP3
SCHEMBL4346174 0.89 GPR34 (0.45) PPARDPPARAPPARGMMP13
SCHEMBL6650894 0.86 ALDH1A1 (0.47) PPARDPPARAPPARGMMP2MMP3
SCHEMBL4341208 0.86 NR2E1 (0.40) PPARDPPARAPPARGMMP13
SCHEMBL4345864 0.83 ADRB2 (0.44) PPARDPPARAPPARGATMMMP1
SCHEMBL4330032 0.82 PPARA (0.42) PPARDPPARAPPARG
SCHEMBL4328397 0.82 PPARA (0.42) PPARDPPARAPPARG
SCHEMBL4340686 0.82 AAK1 (0.42) 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 3 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-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 PPARD 753/4885PPARA 339/4885PPARG 379/4885

“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.