SCHEMBL3670567

SCHEMBL3670567

COC(=O)[C@@](OC(=O)c1ccccc1)(C(=O)c1ccccc1)[C@@H](O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.50
TSHR P16473 3/20 0.46
ELANE P08246 1/20 0.40
CES1 P23141 2/20 0.40
TP53 P04637 1/20 0.39
KCNN4 O15554 1/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC6A3 Q01959 1/20 0.37
F2 P00734 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 3/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL27973718 0.90 SRC (0.42) SRCTSHRELANECES1TP53
SCHEMBL28276722 0.90 SRC (0.49) SRCTSHRELANECES1KCNN4
SCHEMBL27362899 0.85 TSHR (0.43) SRCTSHRCES1TP53ADRB2
SCHEMBL1483657 0.85 TSHR (0.43) SRCTSHRCES1TP53ADRB2
SCHEMBL2904556 0.85 TSHR (0.43) SRCTSHRCES1TP53ADRB2
SCHEMBL221679 0.85 TSHR (0.43) SRCTSHRCES1TP53ADRB2
SCHEMBL7686 0.85 TSHR (0.43) SRCTSHRCES1TP53ADRB2
SCHEMBL223031 0.85 TSHR (0.43) SRCTSHRCES1TP53ADRB2
SCHEMBL11542849 0.84 TSHR (0.42) SRCTSHRCES1TP53ADRB2
SCHEMBL3946464 0.84 TSHR (0.42) SRCTSHRCES1TP53ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048920-A1 Preparation of (+)-Catechin, (-)-Epicatechin, (-)-Catechin, and (+)-Epicatechin and Their 5,7,3',4'-Tetra-O-Benzyl Analogues MARS, INCORPORATED (US) 2010-02-25 US claimed
EP-1896443-A1 PREPARATION OF (+)-CATECHIN, (-)-EPICATECHIN, (-)-CATECHIN, (+)-EPICATECHIN, AND THEIR 5,7,3',4'-TETRA-O-BENZYL ANALOGUES MARS, INCORPORATED (US) 2008-03-12 EP claimed
WO-2007002877-A1 PREPARATION OF (+)-CATECHIN, (-)-EPICATECHIN, (-)-CATECHIN, (+)-EPICATECHIN, AND THEIR 5,7,3',4'-TETRA-O-BENZYL ANALOGUES MARS, INCORPORATED (US) 2007-01-04 WO claimed
US-20100048920-A1 Preparation of (+)-Catechin, (-)-Epicatechin, (-)-Catechin, and (+)-Epicatechin and Their 5,7,3',4'-Tetra-O-Benzyl Analogues MARS, INCORPORATED (US) 2010-02-25 US disclosed
US-20100048920-A1 Preparation of (+)-Catechin, (-)-Epicatechin, (-)-Catechin, and (+)-Epicatechin and Their 5,7,3',4'-Tetra-O-Benzyl Analogues MARS, INCORPORATED (US) 2010-02-25 US disclosed
CN-101248057-A Preparation of (+) -catechin, (-) -epicatechin, (-) -catechin, (+) -epicatechin, and their 5, 7, 3 ', 4' -tetra-O-benzyl analogues MARS INC (US) 2008-08-20 CN disclosed
EP-1896443-A1 PREPARATION OF (+)-CATECHIN, (-)-EPICATECHIN, (-)-CATECHIN, (+)-EPICATECHIN, AND THEIR 5,7,3',4'-TETRA-O-BENZYL ANALOGUES MARS, INCORPORATED (US) 2008-03-12 EP disclosed
EP-1896443-A1 PREPARATION OF (+)-CATECHIN, (-)-EPICATECHIN, (-)-CATECHIN, (+)-EPICATECHIN, AND THEIR 5,7,3',4'-TETRA-O-BENZYL ANALOGUES MARS, INCORPORATED (US) 2008-03-12 EP disclosed
WO-2007002877-A1 PREPARATION OF (+)-CATECHIN, (-)-EPICATECHIN, (-)-CATECHIN, (+)-EPICATECHIN, AND THEIR 5,7,3',4'-TETRA-O-BENZYL ANALOGUES MARS, INCORPORATED (US) 2007-01-04 WO disclosed
WO-2007002877-A1 PREPARATION OF (+)-CATECHIN, (-)-EPICATECHIN, (-)-CATECHIN, (+)-EPICATECHIN, AND THEIR 5,7,3',4'-TETRA-O-BENZYL ANALOGUES MARS, INCORPORATED (US) 2007-01-04 WO 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 (1 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-20100048920-A1 Preparation of (+)-Catechin, (-)-Epicatechin, (-)-Catechin, and (+)-Epicatechin and Their 5,7,3',4'-Tetra-O-Benzyl Analogues HAAO, TES, HPD SRC 4263/4885TSHR 4559/4885ELANE 893/4885

“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.