SCHEMBL4851669

SCHEMBL4851669

COc1cc(COc2nn(-c3ccccc3)cc2C(=O)O)ccc1OCc1nc(-c2ccco2)oc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.51
ALDH1A1 P00352 5/20 0.44
TSHR P16473 4/20 0.44
HSD17B10 Q99714 4/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.44
PPARA Q07869 6/20 0.44
ADORA3 P0DMS8 4/20 0.42
ADORA2A P29274 4/20 0.42
ADORA1 P30542 4/20 0.42
ALOX15 P16050 3/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 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
SCHEMBL4850978 0.95 PPARG (0.49) PPARGALDH1A1TSHRHSD17B10KDM4E
SCHEMBL4847972 0.94 PPARG (0.48) PPARGALDH1A1TSHRHSD17B10KDM4E
SCHEMBL4849091 0.90 PPARG (0.49) PPARGALDH1A1TSHRHSD17B10KDM4E
SCHEMBL4846783 0.90 PPARG (0.55) PPARGALDH1A1HPGDMAPTPPARA
SCHEMBL4853517 0.89 PPARG (0.49) PPARGALDH1A1TSHRHSD17B10KDM4E
SCHEMBL5407835 0.89 PPARG (0.50) PPARGALDH1A1TSHRHSD17B10KDM4E
SCHEMBL4845621 0.89 PPARG (0.48) PPARGALDH1A1TSHRHSD17B10KDM4E
SCHEMBL4845632 0.89 PPARG (0.48) PPARGALDH1A1TSHRHSD17B10KDM4E
SCHEMBL4854552 0.89 PPARG (0.51) PPARGALDH1A1TSHRHSD17B10KDM4E
SCHEMBL4848460 0.89 PPARG (0.51) PPARGALDH1A1TSHRHSD17B10KDM4E

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 821/4885TSHR 2067/4885

“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.