SCHEMBL3677145

SCHEMBL3677145

O=C(CCc1ccccc1)c1ccc(Cc2ccccc2)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.61
CYP19A1 P11511 2/20 0.58
HNF4A P41235 1/20 0.55
IDH1 O75874 1/20 0.54
GAA P10253 2/20 0.54
MAPT P10636 2/20 0.54
SLC5A1 P13866 2/20 0.54
SLC5A2 P31639 2/20 0.54
CYP1A1 P04798 1/20 0.52
CYP1B1 Q16678 1/20 0.52
ERCC1 P07992 1/20 0.48
ERCC4 Q92889 1/20 0.48
FFAR1 O14842 1/20 0.47
PLA2G10 O15496 1/20 0.47
PLA2G2A P14555 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
APP P05067 1/20 0.47
KEAP1 Q14145 1/20 0.46
ACMSD Q8TDX5 1/20 0.46
KLKB1 P03952 1/20 0.45

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
SCHEMBL7301852 0.84 GAA (0.66) CYP19A1GAAMAPTSLC5A1SLC5A2
SCHEMBL30065457 0.84 GAA (0.66) CYP19A1GAAMAPTSLC5A1SLC5A2
SCHEMBL10536160 0.82 MPO (0.71) MPOHNF4AIDH1GAAPLA2G10
SCHEMBL1928182 0.82 HNF4A (0.74) MPOHNF4AIDH1GAAMAPT
SCHEMBL20576964 0.81 MAPT (0.54) MPOCYP19A1GAAMAPTSLC5A1
SCHEMBL644294 0.81 ALOX15 (0.56) CYP19A1GAAMAPTSLC5A1SLC5A2
Dihydrochalcone SCHEMBL2827303 0.80 CYP19A1 (0.80) CYP19A1GAAMAPTSLC5A1SLC5A2
Dihydrochalcone SCHEMBL29359372 0.80 CYP19A1 (0.80) CYP19A1GAAMAPTSLC5A1SLC5A2
SCHEMBL10829584 0.79 TSHR (0.63) CYP19A1GAAMAPTSLC5A1SLC5A2
SCHEMBL20549727 0.79 MPO (0.67) MPOHNF4AIDH1GAAMAPT

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-20100048920-A1 Preparation of (+)-Catechin, (-)-Epicatechin, (-)-Catechin, and (+)-Epicatechin and Their 5,7,3',4'-Tetra-O-Benzyl Analogues MARS, INCORPORATED (US) 2010-02-25 US disclosed
EP-1896443-A1 PREPARATION OF (+)-CATECHIN, (-)-EPICATECHIN, (-)-CATECHIN, (+)-EPICATECHIN, AND THEIR 5,7,3',4'-TETRA-O-BENZYL ANALOGUES MARS, INCORPORATED (US) 2008-03-12 EP disclosed
WO-2007002877-A1 PREPARATION OF (+)-CATECHIN, (-)-EPICATECHIN, (-)-CATECHIN, (+)-EPICATECHIN, AND THEIR 5,7,3',4'-TETRA-O-BENZYL ANALOGUES MARS, INCORPORATED (US) 2007-01-04 WO 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-20100048920-A1 Preparation of (+)-Catechin, (-)-Epicatechin, (-)-Catechin, and (+)-Epicatechin and Their 5,7,3',4'-Tetra-O-Benzyl Analogues HAAO, TES, HPD MPO 810/4885CYP19A1 216/4885HNF4A 1454/4885

“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.