SCHEMBL4848084

SCHEMBL4848084

COc1ccc(C=O)cc1OCc1nc(-c2ccco2)oc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.53
ALDH1A1 P00352 9/20 0.46
MAPT P10636 7/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
KDM4E B2RXH2 4/20 0.45
TSHR P16473 3/20 0.45
HSD17B10 Q99714 3/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL6160140 0.96 PPARG (0.57) PPARGALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4846291 0.91 PPARG (0.49) PPARGALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4852631 0.91 ALDH1A1 (0.49) PPARGALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4850788 0.88 PPARG (0.47) PPARGALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL6584922 0.87 PPARG (0.55) PPARGALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL8335514 0.87 PPARG (0.55) PPARGALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4851992 0.86 ALDH1A1 (0.47) PPARGALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL4029430 0.84 MAPT (0.50) PPARGALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL8340592 0.83 PPARG (0.53) PPARGALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL6966486 0.83 PPARG (0.53) PPARGALDH1A1MAPTSMN1; SMN2KDM4E

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 821/4885MAPT 4700/4885

“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.