SCHEMBL4334947

SCHEMBL4334947

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
PPARA Q07869 13/20 0.42
PPARG P37231 12/20 0.41
PPARD Q03181 10/20 0.41
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
ACACB O00763 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL4336503 0.87 PPARA (0.43) EGLN1PPARAPPARGPPARDACACB
SCHEMBL4339113 0.86 PPARA (0.51) EGLN1PPARAPPARGPPARDMAOB
SCHEMBL4333224 0.86 PPARA (0.45) EGLN1PPARAPPARGPPARDMRGPRX4
SCHEMBL4329912 0.86 PPARG (0.46) PPARAPPARGPPARDACACB
SCHEMBL4334529 0.86 PPARA (0.49) EGLN1PPARAPPARGPPARDALDH1A1
SCHEMBL4340094 0.86 PPARA (0.49) EGLN1PPARAPPARGPPARDALDH1A1
SCHEMBL4336751 0.85 MMP1 (0.44) PPARAPPARGPPARD
SCHEMBL13810007 0.84 PPARG (0.47) PPARAPPARGPPARD
SCHEMBL13810011 0.84 PPARA (0.40) PPARAPPARGPPARD
SCHEMBL4339333 0.83 PPARA (0.47) EGLN1PPARAPPARGPPARDMAOB

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 HSD17B10 346/4885EGLN1 1061/4885PPARA 339/4885

“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.