SCHEMBL5113602

SCHEMBL5113602

CCCCOc1ccc(CCC(=O)OCC)c(Oc2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.49
MAPK1 P28482 1/20 0.46
HPGD P15428 1/20 0.45
PPARD Q03181 3/20 0.44
PPARA Q07869 3/20 0.44
SCN9A Q15858 1/20 0.43
LMNA P02545 1/20 0.43
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42

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
SCHEMBL5108842 0.93 MAPK1 (0.49) PPARGMAPK1HPGDSCN9ALMNA
SCHEMBL5121147 0.90 MAPK1 (0.45) PPARGMAPK1HPGDSCN9ALMNA
SCHEMBL5114166 0.90 MAPK1 (0.49) MAPK1HPGDSCN9ALMNA
SCHEMBL5113018 0.89 PPARG (0.52) PPARGMAPK1HPGDSCN9ALMNA
SCHEMBL5121586 0.86 HPGD (0.48) MAPK1HPGDSCN9ALMNA
SCHEMBL5120283 0.86 SCN9A (0.49) PPARGMAPK1SCN9ALMNA
SCHEMBL3211351 0.85 PPARG (0.66) PPARG
SCHEMBL5112062 0.84 PPARG (0.49) PPARGMAPK1HPGDPPARDPPARA
SCHEMBL5120469 0.83 SCN9A (0.47) PPARGMAPK1HPGDSCN9ALMNA
SCHEMBL5121559 0.82 MAPK1 (0.52) MAPK1SCN9ALMNA

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 52/4885MAPK1 2249/4885HPGD 4473/4885

“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.