SCHEMBL4852628

SCHEMBL4852628

COc1cc(C(=O)O)ccc1OCc1nc(-c2ccco2)oc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.56
HTT P42858 1/20 0.52
MAPT P10636 8/20 0.49
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 4/20 0.49
TSHR P16473 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.46
KMT2A Q03164 2/20 0.44
F2 P00734 2/20 0.44
F12 P00748 1/20 0.44
TP53 P04637 2/20 0.43
MEN1 O00255 1/20 0.43
NFKB1 P19838 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
SCHEMBL4845654 0.89 PPARG (0.54) PPARGMAPTALDH1A1HSD17B10TSHR
SCHEMBL4850543 0.86 PPARG (0.61) PPARGHTTMAPTALDH1A1HSD17B10
SCHEMBL4852431 0.85 MAPT (0.59) PPARGHTTMAPTTSHRKDM4E
SCHEMBL4851165 0.84 PPARG (0.53) PPARGMAPTALDH1A1HSD17B10TSHR
SCHEMBL4035637 0.84 PPARG (0.62) PPARGHTTMAPTALDH1A1HSD17B10
SCHEMBL8340588 0.83 PPARG (0.60) PPARGMAPTALDH1A1HSD17B10TSHR
SCHEMBL6584001 0.83 PPARG (0.67) PPARGHTTMAPTALDH1A1HSD17B10
SCHEMBL6160140 0.83 PPARG (0.57) PPARGHTTMAPTALDH1A1HSD17B10
SCHEMBL6961189 0.82 FDPS (0.53) PPARGHTTMAPTALDH1A1HSD17B10
SCHEMBL6961196 0.82 FDPS (0.53) PPARGHTTMAPTALDH1A1HSD17B10

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 536/4885HTT 4094/4885MAPT 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.