SCHEMBL433552

SCHEMBL433552

COC(=O)c1cc(O)c(=O)c2c(O)c(O)cc([C@H]3Oc4cc(O)cc(O)c4C[C@H]3CC(=O)c3cc(O)c(O)c(O)c3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
MEN1 O00255 5/20 0.61
MAPT P10636 5/20 0.61
RECQL P46063 5/20 0.61
KMT2A Q03164 5/20 0.61
TDP1 Q9NUW8 5/20 0.61
USP2 O75604 4/20 0.61
HPGD P15428 4/20 0.61
ALOX15 P16050 4/20 0.61
APEX1 P27695 4/20 0.61
BLM P54132 4/20 0.61
HSD17B10 Q99714 4/20 0.61
CYP3A4 P08684 3/20 0.61
GALK1 P51570 3/20 0.61
THRB P10828 2/20 0.61
CASP1 P29466 2/20 0.61
MAPK1 P28482 2/20 0.61
LMNA P02545 1/20 0.61
BRCA1 P38398 1/20 0.61
CASP7 P55210 1/20 0.61

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
SCHEMBL16080080 0.86 KDM4E (0.83) KDM4EMEN1MAPTRECQLKMT2A
SCHEMBL431308 0.85 KDM4E (0.82) KDM4EMEN1MAPTRECQLKMT2A
Theaflavin Monogallates SCHEMBL29349416 0.79 BCL2 (0.78) KDM4EMEN1MAPTRECQLKMT2A
SCHEMBL15683002 0.78 KDM4E (0.96) KDM4EMEN1MAPTRECQLKMT2A
SCHEMBL15489160 0.78 KDM4E (0.84) KDM4EMEN1MAPTRECQLKMT2A
SCHEMBL13875103 0.78 KDM4E (0.70) KDM4EMEN1MAPTRECQLKMT2A
SCHEMBL14399846 0.77 KDM4E (0.67) KDM4EMEN1MAPTRECQLKMT2A
SCHEMBL17206814 0.77 KDM4E (0.98) KDM4EMEN1MAPTRECQLKMT2A
SCHEMBL16440593 0.77 KDM4E (0.98) KDM4EMEN1MAPTRECQLKMT2A
SCHEMBL16442190 0.77 KDM4E (0.98) KDM4EMEN1MAPTRECQLKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065410-A1 ANTI-OBESITY AGENT COMPRISING COMPOUND CONTAINING BENZOTROPOLONE RING SUNTORY HOLDINGS LIMITED (JP) 2012-03-15 US 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-20120065410-A1 ANTI-OBESITY AGENT COMPRISING COMPOUND CONTAINING BENZOTROPOLONE RING PNLIP, GAA, LIPC KDM4E 1234/4885MEN1 4806/4885MAPT 2912/4885

“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.