SCHEMBL4845595

SCHEMBL4845595

COc1cc(OCc2nc(-c3ccco3)oc2C)ccc1COc1nn(Cc2ccccc2)cc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.40
PPARA Q07869 7/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
KDR P35968 1/20 0.37
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 2/20 0.35
ALOX15 P16050 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FFAR1 O14842 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ADORA3 P0DMS8 1/20 0.34

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 0.88 KDR (0.43) PPARGPPARAPTPN2PTPN1KDR
SCHEMBL4848574 0.88 KDR (0.45) PPARGPPARAKDRALDH1A1SMN1; SMN2
SCHEMBL4851874 0.88 FFAR1 (0.41) PPARGPPARAPTPN2PTPN1KDR
SCHEMBL4846867 0.88 PPARG (0.47) PPARGPPARAMAPTALDH1A1SMN1; SMN2
SCHEMBL4850700 0.87 PPARG (0.50) PPARGPPARAMAPTALDH1A1SMN1; SMN2
SCHEMBL4852637 0.86 PPARG (0.38) PPARGPPARAKDRMAPTALDH1A1
SCHEMBL5374488 0.86 FFAR1 (0.39) PPARGPPARAMAPTALDH1A1SMN1; SMN2
SCHEMBL4850429 0.84 PPARG (0.45) PPARGPPARAKDRMAPTALDH1A1
SCHEMBL4850635 0.84 PPARG (0.40) PPARGPPARAPTPN2PTPN1KDR
SCHEMBL4852692 0.84 PPARG (0.41) PPARGPPARAKDRMAPTALDH1A1

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 519/4885PTPN2 2555/4885

“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.