SCHEMBL5371310

SCHEMBL5371310

OC1Cc2c(OCc3ccccc3)c(Br)c(OCc3ccccc3)c(Br)c2OC1c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ THRB P10828 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ THRA P10827 1/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SLC6A4 P31645 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ HTR2B P41595 1/20 0.32

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
SCHEMBL6670685 0.86 CYP3A4 (0.41) GAAMAPTTHRBMEN1KMT2A
SCHEMBL5368378 0.75 MEN1 (0.34) GAAMAPTTHRBMEN1KMT2A
SCHEMBL5265250 0.73 MAPT (0.47) GAAMAPTTHRBMEN1KMT2A
SCHEMBL6671389 0.71 BACE1 (0.40) GAAMAPTTHRBMEN1KMT2A
SCHEMBL5375219 0.68 MEN1 (0.31) GAAMAPTTHRBMEN1KMT2A
SCHEMBL24983667 0.66 STING1 (0.42) ALDH1A1SMN1; SMN2RAB9AHPGDMAOA
SCHEMBL30141026 0.66 STING1 (0.42) ALDH1A1SMN1; SMN2RAB9AHPGDMAOA
SCHEMBL24983417 0.66 CYP3A4 (0.41) ALDH1A1SMN1; SMN2RAB9AHPGDMAOA
SCHEMBL24983815 0.66 CYP3A4 (0.43) ALDH1A1SMN1; SMN2RAB9AHPGDMAOA
SCHEMBL30892456 0.66 CYP3A4 (0.41) ALDH1A1SMN1; SMN2RAB9AHPGDMAOA

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-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-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 GAA 2612/4885MAPT 1864/4885THRB 4387/4885
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 GAA 4447/4885MAPT 3573/4885THRB 3231/4885
US-20040235941-A1 Dimer digallate compositions NOD2, GID4, GPX4 GAA 3244/4885MAPT 1853/4885THRB 4397/4885

“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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