SCHEMBL3923100

SCHEMBL3923100

CC(=O)OC1Cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2OC1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ STING1 Q86WV6 2/20 0.58
▸ MEN1 O00255 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ GABRA1 P14867 4/20 0.50
▸ GABRB2 P47870 4/20 0.50
▸ ABCB1 P08183 9/20 0.46
▸ F10 P00742 3/20 0.43

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
SCHEMBL13508129 0.91 STING1 (0.53) ALDH1A1CYP3A4MAPK1SMN1; SMN2STING1
SCHEMBL16016991 0.91 ALDH1A1 (0.55) ALDH1A1CYP3A4MAPK1SMN1; SMN2STING1
SCHEMBL24984253 0.89 STING1 (0.61) ALDH1A1CYP3A4MAPK1SMN1; SMN2STING1
SCHEMBL30141106 0.89 STING1 (0.61) ALDH1A1CYP3A4MAPK1SMN1; SMN2STING1
SCHEMBL4639562 0.88 MEN1 (0.61) ALDH1A1CYP3A4MAPK1SMN1; SMN2STING1
SCHEMBL4639560 0.88 MEN1 (0.61) ALDH1A1CYP3A4MAPK1SMN1; SMN2STING1
SCHEMBL4674780 0.88 MEN1 (0.61) ALDH1A1CYP3A4MAPK1SMN1; SMN2STING1
SCHEMBL4639566 0.88 MEN1 (0.61) ALDH1A1CYP3A4MAPK1SMN1; SMN2STING1
SCHEMBL4674783 0.88 MEN1 (0.61) ALDH1A1CYP3A4MAPK1SMN1; SMN2STING1
SCHEMBL20169881 0.88 STING1 (0.50) ALDH1A1CYP3A4MAPK1SMN1; SMN2STING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20050020512-A1 Synthesis of oligomeric epicatechin and catechin-derived procyanidins MARS, INCORPORATED 2005-01-27 — — US claimed
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 claimed
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-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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