SCHEMBL5109458

SCHEMBL5109458

CC(C)Oc1cc(CCCO)n(Cc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.48
PTGDR2 Q9Y5Y4 3/20 0.39
MDM2 Q00987 1/20 0.36
TLR8 Q9NR97 1/20 0.35
P2RY14 Q15391 1/20 0.35

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
SCHEMBL5109249 0.86 PPARG (0.63) PPARG
SCHEMBL5106933 0.86 PPARG (0.52) PPARGPTGDR2
SCHEMBL5120100 0.85 PPARG (0.50) PPARG
SCHEMBL5113068 0.83 PPARG (0.39) PPARGPTGDR2TLR8P2RY14
SCHEMBL5111247 0.81 PPARG (0.52) PPARGPTGDR2
SCHEMBL5118890 0.76 PPARG (0.57) PPARG
SCHEMBL5106857 0.76 PPARG (0.59) PPARG
SCHEMBL5112535 0.76 PPARG (0.59) PPARG
SCHEMBL5109403 0.76 PPARG (0.72) PPARGPTGDR2
SCHEMBL5112518 0.76 PPARG (0.48) PPARG

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 2631/4885MDM2 3883/4885

“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.