SCHEMBL5111582

SCHEMBL5111582

CCCOc1cc(CCC(=O)OCC)n(Cc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTGDR2 Q9Y5Y4 6/20 0.39
TRPM2 O94759 1/20 0.39
P2RY14 Q15391 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGER1 P34995 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
EPHX2 P34913 1/20 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
SCHEMBL3216344 0.95 PPARG (0.44) PPARGKDM4EALDH1A1PTGDR2TRPM2
SCHEMBL5113810 0.88 PPARG (0.47) PPARGKDM4EALDH1A1CYP4F2CYP4A11
SCHEMBL5105836 0.87 ALDH1A1 (0.47) PPARGALDH1A1
SCHEMBL5111247 0.86 PPARG (0.52) PPARGKDM4EALDH1A1PTGDR2TRPM2
SCHEMBL3205522 0.84 PTGDR2 (0.47) PPARGPTGDR2PTGESALOX5
SCHEMBL3211396 0.83 PPARG (0.58) PPARG
SCHEMBL5113068 0.83 PPARG (0.39) PPARGPTGDR2P2RY14PTGESALOX5
SCHEMBL28771360 0.80 PPARG (0.47) PPARGPTGDR2PTGESALOX5
SCHEMBL5112614 0.78 PPARG (0.62) PPARG
SCHEMBL5120832 0.78 ALDH1A1 (0.44) PPARGKDM4EALDH1A1PTGDR2PTGER1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 PPARG 52/4885KDM4E 1854/4885ALDH1A1 1527/4885

“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.