SCHEMBL4845654

SCHEMBL4845654

CCOC(=O)c1ccc(OCc2nc(-c3ccco3)oc2C)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.54
MAPT P10636 6/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HSD17B10 Q99714 4/20 0.49
TSHR P16473 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALOX15 P16050 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 4/20 0.43
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
ADORA2B P29275 1/20 0.43
RAB9A P51151 2/20 0.43
HSD17B2 P37059 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL4852628 0.89 PPARG (0.56) PPARGMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4852584 0.89 PPARG (0.44) PPARGMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4848184 0.85 MAPT (0.56) PPARGMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL6583683 0.84 FDPS (0.57) PPARGMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL6582015 0.84 PPARG (0.61) PPARGMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL6584580 0.84 FDPS (0.57) PPARGMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4030373 0.83 L3MBTL1 (0.44) PPARGMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4850543 0.82 PPARG (0.61) PPARGMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4848782 0.82 PPARG (0.52) PPARGMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL8675039 0.82 PPARG (0.63) PPARGMAPTALDH1A1HPGDSMN1; 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 536/4885MAPT 4700/4885ALDH1A1 821/4885

“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.