SCHEMBL4339113

SCHEMBL4339113

CC(C)OC(Cc1cccc(OCC#Cc2cccc(C(F)(F)F)c2)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.51
PPARG P37231 8/20 0.51
PPARD Q03181 3/20 0.48
EGLN1 Q9GZT9 1/20 0.45
PTGES O14684 2/20 0.43
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
NR4A2 P43354 1/20 0.41
FFAR1 O14842 1/20 0.41
MAOB P27338 1/20 0.40
ADAM17 P78536 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4339333 0.91 PPARA (0.47) PPARAPPARGPPARDEGLN1PTGES
SCHEMBL13810005 0.90 PPARA (0.49) PPARAPPARGPPARDEGLN1PTGES
SCHEMBL4335099 0.87 PTGES (0.54) PPARAPPARGPPARDPTGESFFAR1
SCHEMBL4334947 0.86 HSD17B10 (0.43) PPARAPPARGPPARDEGLN1MRGPRX4
SCHEMBL4336981 0.86 PPARA (0.46) PPARAPPARGPPARDMAPTFFAR1
SCHEMBL13810010 0.83 PPARA (0.49) PPARAPPARGPPARDEGLN1ALDH1A1
SCHEMBL4336503 0.83 PPARA (0.43) PPARAPPARGPPARDEGLN1
SCHEMBL13819762 0.83 NR4A2 (0.60) PPARAPPARGPPARDMAPTHTT
SCHEMBL4333224 0.83 PPARA (0.45) PPARAPPARGPPARDEGLN1MRGPRX4
SCHEMBL4334529 0.82 PPARA (0.49) PPARAPPARGPPARDEGLN1ALDH1A1

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-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.