SCHEMBL5268327

SCHEMBL5268327

Oc1ccc([C@H]2Oc3c(Br)c(OCc4ccccc4)cc(OCc4ccccc4)c3C(Cc3ccccc3)[C@@]2(Cc2ccccc2)OCc2ccccc2)cc1O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 2/20 0.33
▸ MCL1 Q07820 1/20 0.31

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
SCHEMBL5440151 1.00 SIRT1 (0.33) SIRT1MCL1
SCHEMBL6078534 0.89 — —
SCHEMBL5265083 0.89 — —
SCHEMBL8217022 0.86 CCR5 (0.32) —
SCHEMBL5267902 0.83 SIRT1 (0.33) SIRT1MCL1
SCHEMBL5265253 0.75 SIRT1 (0.35) SIRT1MCL1
SCHEMBL5267655 0.75 SIRT1 (0.35) SIRT1MCL1
SCHEMBL6682031 0.74 CCR5 (0.32) —
SCHEMBL5264656 0.73 BCHE (0.31) SIRT1
SCHEMBL5265504 0.73 SIRT1 (0.33) SIRT1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317437-B1 SYNTHESIS OF 4-ALPHA-ARYLEPICATECHINS MARS INC (US) 2007-10-03 — — EP claimed
US-6476241-B1 Synthesis of 4α-arylepicatechins MARS INCORPORATED 2002-11-05 — — US claimed
EP-1317437-B1 SYNTHESIS OF 4-ALPHA-ARYLEPICATECHINS MARS INC (US) 2007-10-03 — — EP disclosed
US-7268240-B2 Synthetic methods for polyphenols MARS, INC. 2007-09-11 — — US disclosed
US-20070197804-A1 Synthesis of 4alpha-arylepicatechins MARS, INCORPORATED 2007-08-23 — — US disclosed
US-7126014-B2 Synthesis of epecatechin-4α, 8-epicatechin and -catechin dimers and derivatives thereof MARS, INC. 2006-10-24 — — US disclosed
US-6849746-B2 Synthetic methods for polyphenols MARS, INC. (US) 2005-02-01 — — US disclosed
US-20050014958-A1 Synthesis of 4alpha-arylepicatechins MARS, INCORPORATED 2005-01-20 — — US disclosed
US-20040235941-A1 Dimer digallate compositions MARS, INCORPORATED 2004-11-25 — — US disclosed
US-20040236123-A1 Synthetic methods for polyphenols M&M/MARS INC. 2004-11-25 — — US disclosed
US-6720432-B2 OXIDIZING HYDROXYL-PROTECTED BENZYLEPITCATECHIN, ADDING NUCLEOPHILIC ARYL-ORGANOMETALLIC REAGENT, AND DEOXYGENATING FORMING COMPOUNDS SUCH AS 3,5,7,3',4'-PENTA-O-BENZYL-4-HYDROXYEPICATECHIN; PROCYANIDINS MARS INCORPORATED 2004-04-13 — — US disclosed
US-20030176620-A1 Synthetic methods for polyphenols MARS INCORPORATED 2003-09-18 — — US disclosed
EP-1317437-A2 SYNTHESIS OF 4-ALPHA-ARYLEPICATECHINS Mars Incorporated (US) 2003-06-11 — — EP disclosed
US-20030100775-A1 Synthesis of 4alpha-arylepicatechins MARS INCORPORATED 2003-05-29 — — US disclosed
US-6528664-B2 Synthetic methods for polyphenols MARS, INCORPORATED 2003-03-04 — — US disclosed
EP-1027345-B1 SYNTHETIC METHODS FOR POLYPHENOLS MARS INC (US) 2003-02-19 — — EP disclosed
US-6476241-B1 Synthesis of 4α-arylepicatechins MARS INCORPORATED 2002-11-05 — — US disclosed
US-20020128493-A1 Coupling flavonoid-like compounds having protected hydroxy groups by functionalizing the C-4; oxidative dehydrogenation to form dimers and oligomers; efficiency; anticarciogenic agents; breast cancer MARS, INCORPORATED 2002-09-12 — — US disclosed
US-6420572-B1 FLAVANOID DERIVATIVES AND PHENOLIC DERIVATIVES WITH HALOGENATION MARS, INCORPORATED 2002-07-16 — — US disclosed
WO-2002020506-A2 SYNTHESIS OF 4α-ARYLEPICATECHINS MARS, INCORPORATED (US) 2002-03-14 — — WO disclosed

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

For each of this compound's patents that has machine-readable text (6 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-20040236123-A1 Synthetic methods for polyphenols MLN, NQO1, NOD2 SIRT1 66/4885MCL1 4069/4885
US-20030100775-A1 Synthesis of 4alpha-arylepicatechins FABP4, TEAD4, FABP7 SIRT1 1320/4885MCL1 3930/4885
US-20050014958-A1 Synthesis of 4alpha-arylepicatechins FABP7, FABP4, TEAD4 SIRT1 1749/4885MCL1 4352/4885
US-20020128493-A1 Coupling flavonoid-like compounds having protected hydroxy groups by functionalizing the C-4; oxidative dehydrogenation to form dimers and oligomers; efficiency; anticarciogenic agents; breast cancer GPX4, NOX4, TPD52L2 SIRT1 468/4885MCL1 1458/4885
US-20040235941-A1 Dimer digallate compositions NOD2, GID4, GPX4 SIRT1 287/4885MCL1 3744/4885
US-20070197804-A1 Synthesis of 4alpha-arylepicatechins FABP7, FABP4, TEAD4 SIRT1 1749/4885MCL1 4352/4885

“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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