SCHEMBL5361040

SCHEMBL5361040

OCCO[C@H]1c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)[C@H]1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.37
▸ APP P05067 2/20 0.35
▸ HIF1A Q16665 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ EGFR P00533 2/20 0.34
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAOB P27338 2/20 0.32
▸ MAOA P21397 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
SCHEMBL3924177 1.00 PIN1 (0.37) PIN1APPHIF1APDE4APDE4B
SCHEMBL14408050 1.00 PIN1 (0.37) PIN1APPHIF1APDE4APDE4B
SCHEMBL14408048 1.00 PIN1 (0.37) PIN1APPHIF1APDE4APDE4B
SCHEMBL3669336 0.85 PIN1 (0.39) PIN1APPHIF1APDE4APDE4B
SCHEMBL3668993 0.85 PIN1 (0.39) PIN1APPHIF1APDE4APDE4B
SCHEMBL14380399 0.84 MEN1 (0.42) APPHIF1APDE4APDE4BPDE4C
SCHEMBL14626184 0.83 SLC5A2 (0.35) HIF1APDE4APDE4BPDE4CPDE4D
SCHEMBL14415238 0.83 SLC5A2 (0.35) HIF1APDE4APDE4BPDE4CPDE4D
SCHEMBL4620243 0.83 SIRT1 (0.38) PIN1APPCYP4F2CYP4A11BCHE
SCHEMBL14408042 0.83 APP (0.39) PIN1APPHIF1APDE4APDE4B

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-20050277600-A1 Compositions and methods of use of dimer digallates MARS, INCROPORATED (US) 2005-12-15 — — 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
US-6207842-B1 FROM EPICATECHIN MARS INCORPORATED 2001-03-27 — — 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 (4 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 PIN1 614/4885APP 1649/4885HIF1A 2355/4885
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 PIN1 1950/4885APP 3658/4885HIF1A 1169/4885
US-20040235941-A1 Dimer digallate compositions NOD2, GID4, GPX4 PIN1 273/4885APP 2930/4885HIF1A 1553/4885
US-20050277600-A1 Compositions and methods of use of dimer digallates FABP3, FGB, F2 PIN1 3984/4885APP 662/4885HIF1A 122/4885

“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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