SCHEMBL5111247

SCHEMBL5111247

CCOC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.52
PTGDR2 Q9Y5Y4 4/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TRPM2 O94759 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
SCHEMBL5120046 0.89 PPARG (0.57) PPARGTRPM2
SCHEMBL3195634 0.88 PPARG (0.67) PPARG
SCHEMBL5119777 0.87 PPARG (0.55) PPARGALDH1A1
SCHEMBL5111582 0.86 PPARG (0.41) PPARGPTGDR2KDM4EALDH1A1TRPM2
SCHEMBL3216344 0.85 PPARG (0.44) PPARGPTGDR2KDM4EALDH1A1TRPM2
SCHEMBL5109458 0.81 PPARG (0.48) PPARGPTGDR2
SCHEMBL5106709 0.79 PPARG (0.62) PPARGKDM4EALDH1A1
SCHEMBL5119845 0.79 PPARG (0.64) PPARG
SCHEMBL5120924 0.79 PPARG (0.64) PPARG
SCHEMBL5113082 0.79 PPARG (0.53) PPARGALDH1A1

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 52/4885PTGDR2 2631/4885KDM4E 1854/4885

“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.