SCHEMBL3932086

SCHEMBL3932086

CC(=O)[C@@]1(OCc2ccccc2)C(OCc2ccccc2)c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[C@@H]1c1ccc(O)c(O)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.37
▸ SIRT1 Q96EB6 1/20 0.35
▸ MCL1 Q07820 2/20 0.35
▸ HIF1A Q16665 4/20 0.34
▸ STING1 Q86WV6 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PTGES O14684 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ MAOA P21397 1/20 0.32

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
SCHEMBL5510354 0.88 MAOB (0.35) MAOBSIRT1MCL1HIF1ASTING1
SCHEMBL5265504 0.84 SIRT1 (0.33) MAOBSIRT1MCL1HIF1AMAPT
SCHEMBL14686069 0.80 MAOB (0.36) MAOBSIRT1MCL1HIF1AMAPT
SCHEMBL5265282 0.79 BCHE (0.31) SIRT1HIF1AACHE
SCHEMBL14686180 0.78 STING1 (0.37) MAOBSIRT1MCL1HIF1ASTING1
SCHEMBL5267902 0.76 SIRT1 (0.33) MAOBSIRT1MCL1HIF1AMAPT
SCHEMBL6690567 0.74 BCHE (0.38) MAOBSIRT1MCL1HIF1AMAPT
SCHEMBL5267639 0.72 SIRT1 (0.35) MAOBSIRT1MCL1MAPTL3MBTL1
SCHEMBL15442718 0.72 BCHE (0.36) MAOBSIRT1MCL1MAPTL3MBTL1
SCHEMBL3669027 0.72 BCHE (0.36) MAOBSIRT1MCL1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507831-B2 Tetra- and penta-o-benzyl-protected, C-4 activated-epicatechin and -catechin monomers and processes for their preparation and use MARS, INC. 2009-03-24 — — US disclosed
US-20070276147-A1 Synthesis of Oligomeric Epicatechin- and Catechin-Derived Procyanidins KOZIKOWSKI ALAN P 2007-11-29 — — US disclosed
US-7244855-B2 Synthesis of oligomeric epicatechin and catechin-derived procyanidins MARS, INC. 2007-07-17 — — US disclosed
US-20060173198-A1 Synthesis of dimeric, trimeric, tetrameric, pentameric, and higher oligomeric epicatechin-derived procyanidins having 4beta,8-interflavan linkages and their use to inhibit cancer cell growth through cell cycle arrest KOZIKOWSKI ALAN P 2006-08-03 — — US disclosed
US-7067679-B2 Synthesis of dimeric, trimeric, tetrameric pentameric, and higher oligomeric epicatechin-derived procyanidins having 4,8-interflavan linkages and their use to inhibit cancer cell growth through cell cycle arrest MARS, INC. 2006-06-27 — — US disclosed
US-20050020512-A1 Synthesis of oligomeric epicatechin and catechin-derived procyanidins MARS, INCORPORATED 2005-01-27 — — US disclosed
US-20040116718-A1 Synthesis of dimeric, trimeric, tetrameric pentameric, and higher oligomeric epicatechin-derived procyanidins having 4beta,8-interflavan linkages and their use to inhibit cancer cell growth through cell cycle arrest MARS, INC. 2004-06-17 — — US disclosed
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