SCHEMBL3672681

SCHEMBL3672681

C1=CC(c2cccc(OCc3ccccc3)c2)Oc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.50
CA5A P35218 2/20 0.50
MAOB P27338 8/20 0.45
MAOA P21397 3/20 0.45
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
TNKS2 Q9H2K2 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
GRM5 P41594 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALOX5 P09917 1/20 0.41
LCK P06239 1/20 0.41

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
SCHEMBL25265196 0.80 LMNA (0.44) CA2CA5AMAOBMAOATNKS2
SCHEMBL25188259 0.80 LMNA (0.44) CA2CA5AMAOBMAOATNKS2
SCHEMBL10705094 0.77 CA2 (0.51) CA2CA5AMAOBMAOANFKB1
SCHEMBL25264495 0.75 NFKB1 (0.69) CA2CA5AMAOBNFKB1NFKB2
SCHEMBL25187265 0.75 NFKB1 (0.69) CA2CA5AMAOBNFKB1NFKB2
SCHEMBL6493076 0.72 NFKB1 (0.55) NFKB1NFKB2RELANPC1ALDH1A1
SCHEMBL30141055 0.72 NFKB1 (0.43) CA2CA5AMAOBNFKB1NFKB2
SCHEMBL24983856 0.72 NFKB1 (0.43) CA2CA5AMAOBNFKB1NFKB2
SCHEMBL22882747 0.72 L3MBTL1 (0.43) CA2CA5AMAOBMAOANFKB1
SCHEMBL8190359 0.72 MAOB (0.53) MAOBMAOATNKS2ALOX5LCK

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 CA2 444/4885CA5A 767/4885MAOB 882/4885

“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.