SCHEMBL4851209

SCHEMBL4851209

CCOP(=O)(/C=C/c1cn(-c2ccccc2)nc1OCc1ccc(OCc2nc(-c3cccc(OCC(=O)O)c3)oc2C)c(OC)c1)OCC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.40
PPARG P37231 12/20 0.40
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDR P35968 1/20 0.38
FFAR1 O14842 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PPARD Q03181 3/20 0.36

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
SCHEMBL4851213 1.00 PPARA (0.40) PPARAPPARGMAPTSMN1; SMN2KDR
SCHEMBL4843642 0.92 PPARG (0.39) PPARAPPARGMAPTKDRFFAR1
SCHEMBL4843628 0.92 PPARG (0.39) PPARAPPARGMAPTKDRFFAR1
SCHEMBL4848445 0.91 PPARG (0.40) PPARAPPARGMAPTSMN1; SMN2KDR
SCHEMBL4843850 0.91 PPARG (0.40) PPARAPPARGMAPTSMN1; SMN2KDR
SCHEMBL4843835 0.91 PPARG (0.40) PPARAPPARGMAPTSMN1; SMN2KDR
SCHEMBL4849075 0.90 MAPT (0.38) PPARAPPARGMAPTSMN1; SMN2KDR
SCHEMBL4849080 0.90 MAPT (0.38) PPARAPPARGMAPTSMN1; SMN2KDR
SCHEMBL4851609 0.90 MAPT (0.38) PPARAPPARGMAPTSMN1; SMN2KDR
SCHEMBL4850810 0.90 MAPT (0.40) PPARAPPARGMAPTFFAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 PPARA 519/4885PPARG 536/4885MAPT 4700/4885

“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.