SCHEMBL5370812

SCHEMBL5370812

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

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ PTGES O14684 3/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CREB1 P16220 1/20 0.31
▸ MCL1 Q07820 1/20 0.30
▸ THRA P10827 1/20 0.30
▸ THRB P10828 1/20 0.30

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
SCHEMBL5371313 0.87 GAA (0.33) LMNAHPGDTHRATHRB
SCHEMBL5267655 0.87 SIRT1 (0.35) PTPN1ALOX5PTGESSIRT1MCL1
SCHEMBL5265253 0.87 SIRT1 (0.35) PTPN1ALOX5PTGESSIRT1MCL1
SCHEMBL6671393 0.85 SIRT1 (0.34) PTPN1ALOX5PTGESSIRT1MCL1
SCHEMBL3670779 0.76 BCHE (0.36) PTPN1ALOX5SIRT1MCL1
SCHEMBL3669027 0.76 BCHE (0.36) PTPN1ALOX5SIRT1MCL1
SCHEMBL6690567 0.67 BCHE (0.38) PTGESSIRT1LMNAMCL1
SCHEMBL7410422 0.66 DYRK1A (0.41) —
SCHEMBL7413524 0.63 KDM4E (0.41) HPGD
SCHEMBL6670685 0.63 CYP3A4 (0.41) THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268240-B2 Synthetic methods for polyphenols MARS, INC. 2007-09-11 — — US disclosed
US-6849746-B2 Synthetic methods for polyphenols MARS, INC. (US) 2005-02-01 — — 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
EP-1169304-B1 8-8, 6-6 AND 6-8 CATECHIN AND EPICATECHIN DIMERS AND METHODS FOR THEIR PREPARATION MARS INC (US) 2004-09-29 — — EP disclosed
US-20030176620-A1 Synthetic methods for polyphenols MARS INCORPORATED 2003-09-18 — — 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-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
US-6156912-A 88, 66, and 68 catechin and epicatechin dimers and methods for their preparation MARS, INCORPORATED (US) 2000-12-05 — — US 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 (3 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 PTPN1 2464/4885ALOX5 749/4885PTGES 263/4885
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 PTPN1 3514/4885ALOX5 522/4885PTGES 927/4885
US-20040235941-A1 Dimer digallate compositions NOD2, GID4, GPX4 PTPN1 2999/4885ALOX5 954/4885PTGES 1308/4885

“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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