SCHEMBL4849075

SCHEMBL4849075

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
VDR P11473 1/20 0.35
TP53 P04637 2/20 0.35
KDR P35968 1/20 0.35
POLB P06746 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
SCHEMBL4849080 1.00 MAPT (0.38) MAPTPPARGPPARASMN1; SMN2NPC1
SCHEMBL4851609 1.00 MAPT (0.38) MAPTPPARGPPARASMN1; SMN2NPC1
SCHEMBL4848445 0.95 PPARG (0.40) MAPTPPARGPPARASMN1; SMN2NPC1
SCHEMBL4843835 0.95 PPARG (0.40) MAPTPPARGPPARASMN1; SMN2NPC1
SCHEMBL4843850 0.95 PPARG (0.40) MAPTPPARGPPARASMN1; SMN2NPC1
SCHEMBL4851991 0.94 MAPT (0.43) MAPTPPARGPPARATP53POLB
SCHEMBL4851984 0.94 MAPT (0.43) MAPTPPARGPPARATP53POLB
SCHEMBL4850617 0.92 MAPT (0.38) MAPTPPARGPPARASMN1; SMN2ALDH1A1
SCHEMBL4850607 0.92 MAPT (0.38) MAPTPPARGPPARASMN1; SMN2ALDH1A1
SCHEMBL4845620 0.91 MAPT (0.38) MAPTPPARGPPARASMN1; SMN2ALDH1A1

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 MAPT 4700/4885PPARG 536/4885PPARA 519/4885

“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.