SCHEMBL5368378

SCHEMBL5368378

OCCO[C@H]1c2c(OCc3ccccc3)c(Br)c(OCc3ccccc3)c(Br)c2O[C@H](c2cc(OCc3ccccc3)c(OCc3ccccc3)cc2Br)[C@H]1O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ GAA P10253 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ THRB P10828 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TP53 P04637 1/20 0.32
▸ THRA P10827 1/20 0.31
▸ USP28 Q96RU2 1/20 0.31
▸ USP25 Q9UHP3 1/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ HPGD P15428 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
SCHEMBL5532559 0.76 APP (0.34) ALDH1A1TP53USP28USP25SIRT1
SCHEMBL5360708 0.76 APP (0.34) ALDH1A1TP53USP28USP25SIRT1
SCHEMBL5375219 0.76 MEN1 (0.31) MEN1KMT2AGAAMAPTTHRB
SCHEMBL5371310 0.75 GAA (0.35) MEN1KMT2AGAAMAPTTHRB
SCHEMBL5371313 0.69 GAA (0.33) MEN1KMT2AGAAMAPTTHRB
SCHEMBL5368383 0.66 SMN1; SMN2 (0.32) MEN1KMT2AGAAMAPTTHRB
SCHEMBL14408048 0.65 PIN1 (0.37) ALDH1A1TP53
SCHEMBL3924177 0.65 PIN1 (0.37) ALDH1A1TP53
SCHEMBL14408050 0.65 PIN1 (0.37) ALDH1A1TP53
SCHEMBL6670685 0.64 CYP3A4 (0.41) MEN1KMT2AGAAMAPTTHRB

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-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-20040236123-A1 Synthetic methods for polyphenols M&M/MARS INC. 2004-11-25 — — US disclosed
US-20040235941-A1 Dimer digallate compositions MARS, INCORPORATED 2004-11-25 — — US 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

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 MEN1 3697/4885KMT2A 2410/4885GAA 2612/4885
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 MEN1 4146/4885KMT2A 3152/4885GAA 4447/4885
US-20040235941-A1 Dimer digallate compositions NOD2, GID4, GPX4 MEN1 4554/4885KMT2A 3538/4885GAA 3244/4885

“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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