SCHEMBL5118976

SCHEMBL5118976

CCOC(=O)CCc1ccc(OC(C)C)cc1OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.44
MAOB P27338 4/20 0.44
FFAR1 O14842 2/20 0.43
PSEN1 P49768 7/20 0.43
ALOX5 P09917 5/20 0.43
HTR2A P28223 3/20 0.42
PTGES O14684 3/20 0.42
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL5112726 0.86 PPARG (0.47) PPARGMAOBPSEN1ALOX5PTGES
SCHEMBL5106764 0.82 MAOB (0.44) PPARGMAOBFFAR1PSEN1ALOX5
SCHEMBL5113018 0.82 PPARG (0.52) PPARG
SCHEMBL1563974 0.80 FFAR4 (0.47) PPARGMAOBFFAR1PSEN1ALOX5
SCHEMBL3204993 0.78 PPARG (0.71) PPARG
SCHEMBL5111750 0.78 NR4A2 (0.45) PPARGHTR2A
SCHEMBL7901019 0.77 FFAR1 (0.51) PPARGMAOBFFAR1PPARDPPARA
SCHEMBL2349909 0.77 FFAR4 (0.49) PPARGFFAR1PPARDPPARA
SCHEMBL2537564 0.76 PSEN1 (0.47) FFAR1PSEN1ALOX5PPARDPPARA
SCHEMBL3210297 0.75 CYP4F2 (0.51)

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 52/4885MAOB 1596/4885FFAR1 113/4885

“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.