SCHEMBL4848976

SCHEMBL4848976

CCn1cc(C=O)c(OCc2ccc(OCc3nc(-c4ccco4)oc3C)c(OC)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.52
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
HSD17B10 Q99714 4/20 0.41
HPGD P15428 4/20 0.41
MAPT P10636 4/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 6/20 0.39
ALOX15 P16050 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 3/20 0.36
USP2 O75604 2/20 0.36
TP53 P04637 1/20 0.36
ADORA3 P0DMS8 4/20 0.35
ADORA2A P29274 4/20 0.35
ADORA1 P30542 4/20 0.35
PPARA Q07869 2/20 0.35
ADORA2B P29275 2/20 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
SCHEMBL4844065 0.92 PPARG (0.55) PPARGALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL4844055 0.92 PPARG (0.50) PPARGALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL4850700 0.92 PPARG (0.50) PPARGALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL4852732 0.90 PPARG (0.49) PPARGALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL4852715 0.90 PPARG (0.49) PPARGALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL4852813 0.90 PPARG (0.48) PPARGALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL4852799 0.90 PPARG (0.48) PPARGALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL4846867 0.89 PPARG (0.47) PPARGALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL4854477 0.89 PPARG (0.47) PPARGALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL4848460 0.88 PPARG (0.51) PPARGALDH1A1KDM4ESMN1; SMN2HSD17B10

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 821/4885KDM4E 719/4885

“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.