SCHEMBL5111232

SCHEMBL5111232

COCCOc1ccc(CCCO)c(OCc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.44
ALOX5 P09917 3/20 0.44
PTGES O14684 2/20 0.44
PPARG P37231 9/20 0.43
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
MAOB P27338 4/20 0.41
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 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
SCHEMBL3217103 0.85 LTA4H (0.50) KDM4EKMT2A
SCHEMBL5106764 0.83 MAOB (0.44) PSEN1ALOX5PTGESPPARGMAOB
SCHEMBL5112726 0.82 PPARG (0.47) PSEN1ALOX5PTGESPPARGPPARD
SCHEMBL5115379 0.79 SCN9A (0.52) PPARG
SCHEMBL3211308 0.78 CYP4F2 (0.49) MAOBKDM4EKMT2A
SCHEMBL5120231 0.77 PSEN1 (0.43) PSEN1ALOX5PTGESPPARGPPARD
SCHEMBL3196887 0.76 PPARG (0.70) PPARG
SCHEMBL5119936 0.76 PSEN1 (0.44) PSEN1ALOX5PTGESPPARGPPARD
SCHEMBL18003392 0.76 PTPRC (0.52) PPARDMAOB
SCHEMBL5110087 0.76 NPSR1 (0.46) PPARGHTTKMT2A

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 PSEN1 4026/4885ALOX5 672/4885PTGES 4106/4885

“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.