SCHEMBL3932082

SCHEMBL3932082

CC(=O)OC1C(O)c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2OC1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ APP P05067 2/20 0.39
▸ GABRA1 P14867 2/20 0.38
▸ GABRB2 P47870 2/20 0.38
▸ EGFR P00533 2/20 0.37
▸ PPARG P37231 1/20 0.36
▸ MAOB P27338 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36

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
SCHEMBL14380399 0.88 MEN1 (0.42) STING1ALDH1A1CYP3A4MAPK1SMN1; SMN2
SCHEMBL18427307 0.87 PIN1 (0.38) ALDH1A1HIF1AMEN1KMT2AAPP
SCHEMBL5265501 0.87 PIN1 (0.38) ALDH1A1HIF1AMEN1KMT2AAPP
SCHEMBL5268318 0.87 PIN1 (0.38) ALDH1A1HIF1AMEN1KMT2AAPP
SCHEMBL3669336 0.85 PIN1 (0.39) ALDH1A1HIF1AMEN1KMT2AAPP
SCHEMBL3668993 0.85 PIN1 (0.39) ALDH1A1HIF1AMEN1KMT2AAPP
SCHEMBL5265280 0.83 PIN1 (0.36) STING1ALDH1A1HIF1AAPPEGFR
SCHEMBL5265555 0.83 PIN1 (0.36) STING1ALDH1A1HIF1AAPPEGFR
SCHEMBL5698022 0.81 MEN1 (0.42) STING1ALDH1A1CYP3A4MAPK1SMN1; SMN2
SCHEMBL5620180 0.81 MEN1 (0.42) STING1ALDH1A1CYP3A4MAPK1SMN1; SMN2

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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