SCHEMBL5366121

SCHEMBL5366121

COc1cc(OC)c2c(c1)OC(c1ccc(OC)c(OC)c1)C(O)C2OCCO

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.53
▸ CYP3A4 P08684 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ABCB1 P08183 5/20 0.40
▸ XDH P47989 1/20 0.39
▸ PDE4D Q08499 3/20 0.39
▸ PTAFR P25105 1/20 0.39

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
SCHEMBL14626184 0.81 SLC5A2 (0.35) ALDH1A1CYP3A4MAPK1PDE4D
SCHEMBL14415238 0.81 SLC5A2 (0.35) ALDH1A1CYP3A4MAPK1PDE4D
SCHEMBL5361040 0.78 PIN1 (0.37) ALDH1A1PDE4D
SCHEMBL14408048 0.78 PIN1 (0.37) ALDH1A1PDE4D
SCHEMBL15161369 0.72 ALDH1A1 (0.53) ALDH1A1CYP3A4MAPK1ABCB1PTAFR
SCHEMBL15161417 0.72 ALDH1A1 (0.53) ALDH1A1CYP3A4MAPK1ABCB1PTAFR
SCHEMBL1973506 0.70 XDH (0.47) ALDH1A1CYP3A4MAPK1ABCB1XDH
Catechin Tetramethylether SCHEMBL30991591 0.70 CYP3A4 (0.81) ALDH1A1CYP3A4MAPK1ABCB1
Catechin Tetramethylether SCHEMBL28731348 0.70 CYP3A4 (0.81) ALDH1A1CYP3A4MAPK1ABCB1
Catechin Tetramethylether SCHEMBL1430853 0.70 CYP3A4 (0.81) ALDH1A1CYP3A4MAPK1ABCB1

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 ALDH1A1 1751/4885CYP3A4 178/4885MAPK1 3009/4885
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 ALDH1A1 745/4885CYP3A4 18/4885MAPK1 2556/4885
US-20040235941-A1 Dimer digallate compositions NOD2, GID4, GPX4 ALDH1A1 1937/4885CYP3A4 304/4885MAPK1 2879/4885

“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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