SCHEMBL3208095

SCHEMBL3208095

CCCCOc1cc(/C=C/C(=O)O)n(Cc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.46
PTGDR2 Q9Y5Y4 7/20 0.45
ALOX5 P09917 3/20 0.43
PTGES O14684 2/20 0.43
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
P2RY14 Q15391 1/20 0.41
PTGER4 P35408 1/20 0.40
PSEN1 P49768 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 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
SCHEMBL3208104 1.00 PPARG (0.46) PPARGPTGDR2ALOX5PTGESCYP1A1
SCHEMBL3207244 0.88 PPARG (0.60) PPARGPTGDR2PPARDPPARA
SCHEMBL3207231 0.88 PPARG (0.60) PPARGPTGDR2PPARDPPARA
SCHEMBL3202840 0.86 PTGDR2 (0.41) PPARGPTGDR2ALOX5PTGESP2RY14
SCHEMBL3208535 0.84 PPARG (0.67) PPARG
SCHEMBL3208541 0.84 PPARG (0.67) PPARG
SCHEMBL27716303 0.84 PPARG (0.42) PPARGPTGDR2ALOX5PTGESP2RY14
SCHEMBL3215812 0.83 PTGDR2 (0.48) PPARGPTGDR2ALOX5PTGESP2RY14
SCHEMBL5106823 0.83 KDM4E (0.46)
SCHEMBL5106822 0.83 KDM4E (0.46)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041892-A1 Therapeutic agent for diabetes ABE HIDENORI 2010-02-18 US disclosed
US-20090270631-A1 Therapeutic agent for diabetes ABE HIDENORI 2009-10-29 US disclosed
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
US-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 US disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO 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 (3 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-20090270631-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 PPARG 31/4885PTGDR2 1289/4885ALOX5 583/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 PPARG 30/4885PTGDR2 1005/4885ALOX5 757/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 PPARG 31/4885PTGDR2 1289/4885ALOX5 583/4885

“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.