SCHEMBL4852701

SCHEMBL4852701

CCOC(=O)c1cnc(-c2ccccc2)nc1OCc1ccc(OCc2nc(-c3ccco3)oc2C)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.49
ALDH1A1 P00352 6/20 0.46
ADORA3 P0DMS8 4/20 0.46
ADORA2A P29274 4/20 0.46
ADORA1 P30542 4/20 0.46
LMNA P02545 3/20 0.46
ADORA2B P29275 1/20 0.46
CYP1A2 P05177 4/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
PPARA Q07869 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4848155 0.93 PPARG (0.52) PPARGALDH1A1ADORA3ADORA2AADORA1
SCHEMBL4850970 0.86 PPARG (0.50) PPARGALDH1A1ADORA3ADORA2AADORA1
SCHEMBL4848159 0.85 PPARG (0.51) PPARGALDH1A1ADORA3ADORA2AADORA1
SCHEMBL4852958 0.84 PPARG (0.51) PPARGALDH1A1ADORA3ADORA2AADORA1
SCHEMBL4847972 0.84 PPARG (0.48) PPARGALDH1A1ADORA3ADORA2AADORA1
SCHEMBL4845809 0.83 PPARG (0.48) PPARGALDH1A1ADORA3ADORA2AADORA1
SCHEMBL4845725 0.83 PPARG (0.48) PPARGALDH1A1ADORA3ADORA2AADORA1
SCHEMBL4848830 0.83 PPARG (0.48) PPARGALDH1A1ADORA3ADORA2AADORA1
SCHEMBL4847886 0.83 PPARG (0.48) PPARGALDH1A1ADORA3ADORA2AADORA1
SCHEMBL4847960 0.83 PPARG (0.50) PPARGALDH1A1ADORA3ADORA2AADORA1

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 536/4885ALDH1A1 821/4885ADORA3 2821/4885

“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.