SCHEMBL4845957

SCHEMBL4845957

COc1cc(OCc2nc(-c3ccco3)oc2C)ccc1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.48
ALDH1A1 P00352 4/20 0.42
PPARA Q07869 3/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
MAPT P10636 7/20 0.41
ERN1 O75460 1/20 0.41
POLB P06746 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 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
TP53 P04637 2/20 0.41
KDR P35968 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL8482939 0.83 PPARG (0.47) PPARGALDH1A1PPARAMAPTERN1
SCHEMBL4852844 0.83 PPARG (0.47) PPARGALDH1A1PPARAMAPTPOLB
SCHEMBL4029092 0.82 FFAR1 (0.45) PPARGALDH1A1PPARAMAPTKDM4E
SCHEMBL6160140 0.81 PPARG (0.57) PPARGALDH1A1MAPTKDM4EHPGD
SCHEMBL4848084 0.81 PPARG (0.53) PPARGALDH1A1MAPTPOLBKDM4E
SCHEMBL4845595 0.79 PPARG (0.40) PPARGALDH1A1PPARAPTPN2PTPN1
SCHEMBL4030719 0.77 FFAR1 (0.42) PPARGALDH1A1PPARAPTPN2PTPN1
SCHEMBL5402187 0.77 POLB (0.53) PPARGALDH1A1PPARAMAPTPOLB
SCHEMBL4030069 0.77 PPARG (0.55) PPARGALDH1A1PPARAMAPTERN1
SCHEMBL6584922 0.77 PPARG (0.55) PPARGALDH1A1PTPN2PTPN1MAPT

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 821/4885PPARA 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.