SCHEMBL3670779

SCHEMBL3670779

Oc1ccc([C@H]2Oc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3C(Cc3ccccc3)[C@H]2OCc2ccccc2)cc1O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.36
▸ ACHE P22303 2/20 0.36
▸ SIRT1 Q96EB6 1/20 0.35
▸ MCL1 Q07820 2/20 0.35
▸ PIN1 Q13526 1/20 0.35
▸ ABCB1 P08183 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAOB P27338 2/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ ALOX5 P09917 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
SCHEMBL3669027 1.00 BCHE (0.36) BCHEACHESIRT1MCL1PIN1
SCHEMBL15442718 1.00 BCHE (0.36) BCHEACHESIRT1MCL1PIN1
SCHEMBL6690567 0.89 BCHE (0.38) BCHEACHESIRT1MCL1PIN1
SCHEMBL6671393 0.84 SIRT1 (0.34) BCHEACHESIRT1MCL1MAPT
SCHEMBL5620552 0.83 SIRT1 (0.41) BCHEACHESIRT1MCL1PIN1
SCHEMBL5523109 0.83 SIRT1 (0.41) BCHEACHESIRT1MCL1PIN1
SCHEMBL5265253 0.82 SIRT1 (0.35) BCHEACHESIRT1MCL1MAOB
SCHEMBL5267655 0.82 SIRT1 (0.35) BCHEACHESIRT1MCL1MAOB
SCHEMBL4620243 0.79 SIRT1 (0.38) BCHEACHESIRT1MCL1PIN1
SCHEMBL5268318 0.79 PIN1 (0.38) BCHEACHEPIN1MAPTMAOB

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 72 patents — showing the first 20. 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 claimed
US-20080306286-A1 Isolation, Purification and Synthesis of Procyanidin B2 and Uses Thereof PROTAMED, INC. 2008-12-11 — — US claimed
EP-1921076-A1 systhesis of procyanidin B2 Proteotech Inc. (US) 2008-05-14 — — EP claimed
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 claimed
EP-1896444-A2 IMPROVED PROCESSES FOR THE PREPARATION OF PROTECTED -(+)-CATECHIN AND (-)-EPICATECHIN NOMOMERS, FOR COUPLING THE PROTECTED MONOMERS WITH AN ACTIVATED, PROTECTED EPICATECHIN MONOMER, AND FOR THE PREPARATION OF EPICATECHIN-(4 , 8)-EPICATECHIN OR -CATECHIN DIMERS AND THEIR DIGALLATES MARS, INCORPORATED (US) 2008-03-12 — — EP claimed
US-20070276147-A1 Synthesis of Oligomeric Epicatechin- and Catechin-Derived Procyanidins KOZIKOWSKI ALAN P 2007-11-29 — — US claimed
EP-1317437-B1 SYNTHESIS OF 4-ALPHA-ARYLEPICATECHINS MARS INC (US) 2007-10-03 — — EP claimed
US-7268240-B2 Synthetic methods for polyphenols MARS, INC. 2007-09-11 — — US claimed
US-7244855-B2 Synthesis of oligomeric epicatechin and catechin-derived procyanidins MARS, INC. 2007-07-17 — — US claimed
WO-2007005248-A2 IMPROVED PROCESSES FOR THE PREPARATION OF PROTECTED -(+)-CATECHIN AND (-)-EPICATECHIN NOMOMERS, FOR COUPLING THE PROTECTED MONOMERS WITH AN ACTIVATED, PROTECTED EPICATECHIN MONOMER, AND FOR THE PREPARATION OF EPICATECHIN-(4β, 8)-EPICATECHIN OR -CATECHIN DIMERS AND THEIR DIGALLATES MARS, INCORPORATED (US) 2007-01-11 — — WO claimed
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
EP-1554270-A2 ISOLATION, PURIFICATION AND SYNTHESIS OF PROCYANIDIN B2 AND USES THEREOF Proteotech, Inc. (US) 2005-07-20 — — EP 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
WO-2004033448-A2 ISOLATION, PURIFICATION AND SYNTHESIS OF PROCYANIDIN B2 AND USES THEREOF PROTEOTECH, INC. (US) 2004-04-22 — — WO claimed
JP-2004508362-A — — 2004-03-18 — — JP claimed
EP-1317437-A2 SYNTHESIS OF 4-ALPHA-ARYLEPICATECHINS Mars Incorporated (US) 2003-06-11 — — EP claimed
US-20030100775-A1 Synthesis of 4alpha-arylepicatechins MARS INCORPORATED 2003-05-29 — — US claimed
US-6476241-B1 Synthesis of 4α-arylepicatechins MARS INCORPORATED 2002-11-05 — — US claimed
WO-2002020506-A2 SYNTHESIS OF 4α-ARYLEPICATECHINS MARS, INCORPORATED (US) 2002-03-14 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20030100775-A1 Synthesis of 4alpha-arylepicatechins FABP4, TEAD4, FABP7 BCHE 1134/4885ACHE 3773/4885SIRT1 1320/4885
US-20100048920-A1 Preparation of (+)-Catechin, (-)-Epicatechin, (-)-Catechin, and (+)-Epicatechin and Their 5,7,3',4'-Tetra-O-Benzyl Analogues HAAO, TES, HPD BCHE 89/4885ACHE 997/4885SIRT1 1585/4885

“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.

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