SCHEMBL4850804

SCHEMBL4850804

CCOP(=O)(/C=C/c1cn(-c2ccccc2)nc1OCc1ccc(OCc2nc(-c3cccc(-c4nnn[nH]4)c3)oc2C)c(OC)c1)OCC

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.34
PPARA Q07869 5/20 0.34
KDR P35968 1/20 0.32
MAPT P10636 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
FFAR1 O14842 1/20 0.30

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
SCHEMBL4847726 0.92 PPARG (0.36) PPARGPPARAKDRMAPTRXFP1
SCHEMBL4847734 0.92 PPARG (0.36) PPARGPPARAKDRMAPTRXFP1
SCHEMBL4852906 0.90 PPARG (0.38) PPARGPPARAKDRMAPTRXFP1
SCHEMBL4848445 0.87 PPARG (0.40) PPARGPPARAKDRMAPTLMNA
SCHEMBL4843850 0.87 PPARG (0.40) PPARGPPARAKDRMAPTLMNA
SCHEMBL4843835 0.87 PPARG (0.40) PPARGPPARAKDRMAPTLMNA
SCHEMBL4843642 0.87 PPARG (0.39) PPARGPPARAKDRMAPTPTPN2
SCHEMBL4843628 0.87 PPARG (0.39) PPARGPPARAKDRMAPTPTPN2
SCHEMBL4851213 0.86 PPARA (0.40) PPARGPPARAKDRMAPTKDM4E
SCHEMBL4851209 0.86 PPARA (0.40) PPARGPPARAKDRMAPTKDM4E

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 PPARG 536/4885PPARA 519/4885KDR 2335/4885

“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.