SCHEMBL6670685

SCHEMBL6670685

OC1Cc2c(OCc3ccccc3)c(Br)c(OCc3ccccc3)c(Br)c2OC1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ SLC6A4 P31645 1/20 0.36
▸ APP P05067 3/20 0.36
▸ PRMT5 O14744 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ BACE1 P56817 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALPL P05186 1/20 0.33

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
SCHEMBL5265250 0.88 MAPT (0.47) CYP3A4MAPTTHRBMAPK1PDE4A
SCHEMBL5371310 0.86 GAA (0.35) MAPTTHRBSLC6A4KDM4EGAA
SCHEMBL6671389 0.86 BACE1 (0.40) CYP3A4MAPTTHRBMAPK1PDE4A
SCHEMBL9104116 0.78 CYP3A4 (0.46) CYP3A4MAPTTHRBMAPK1PDE4A
SCHEMBL9103638 0.78 CYP3A4 (0.46) CYP3A4MAPTTHRBMAPK1PDE4A
SCHEMBL24983638 0.76 CYP3A4 (0.50) CYP3A4MAPTMAPK1APPHIF1A
SCHEMBL13507688 0.76 CYP3A4 (0.50) CYP3A4MAPTMAPK1APPHIF1A
SCHEMBL9101384 0.76 CYP3A4 (0.50) CYP3A4MAPTMAPK1APPHIF1A
SCHEMBL13507904 0.76 CYP3A4 (0.50) CYP3A4MAPTMAPK1APPHIF1A
SCHEMBL13507373 0.76 CYP3A4 (0.50) CYP3A4MAPTMAPK1APPHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169304-B1 8-8, 6-6 AND 6-8 CATECHIN AND EPICATECHIN DIMERS AND METHODS FOR THEIR PREPARATION MARS INC (US) 2004-09-29 — — EP disclosed
US-6156912-A 88, 66, and 68 catechin and epicatechin dimers and methods for their preparation MARS, INCORPORATED (US) 2000-12-05 — — US disclosed
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