SCHEMBL4852844

SCHEMBL4852844

COc1cc(OCc2nc(-c3ccco3)oc2C)ccc1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.47
KDR P35968 1/20 0.47
PPARA Q07869 5/20 0.43
MAPT P10636 8/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 3/20 0.41
POLB P06746 2/20 0.41
PDE4C Q08493 1/20 0.39
FFAR1 O14842 1/20 0.39
UBE2I P63279 1/20 0.38
CACNA1B Q00975 1/20 0.38

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
SCHEMBL4848125 0.83 KDR (0.43) PPARGKDRPPARAMAPTSMN1; SMN2
SCHEMBL4845957 0.83 PPARG (0.48) PPARGKDRPPARAMAPTSMN1; SMN2
SCHEMBL4034983 0.82 KDR (0.53) PPARGKDRPPARAMAPTSMN1; SMN2
SCHEMBL4850977 0.81 KDR (0.71) PPARGKDRPPARAFFAR1CYP2C9
SCHEMBL4845403 0.81 PPARG (0.44) PPARGKDRPPARAMAPTSMN1; SMN2
SCHEMBL4035637 0.80 PPARG (0.62) PPARGKDRPPARAMAPTSMN1; SMN2
SCHEMBL4850848 0.80 PPARG (0.58) PPARGKDRPPARAMAPTSMN1; SMN2
SCHEMBL5402187 0.78 POLB (0.53) PPARGPPARAMAPTSMN1; SMN2KDM4E
SCHEMBL504338 0.77 DRD2 (0.48) PPARGPPARAMAPTSMN1; SMN2KDM4E
SCHEMBL4031542 0.77 FFAR1 (0.43) PPARGKDRPPARAMAPTSMN1; SMN2

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 536/4885KDR 2335/4885PPARA 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.