SCHEMBL4183035

SCHEMBL4183035

N[C@@H](CS)C(=O)C1(c2ccccc2)Oc2ccccc2CC1O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.36
SCD O00767 1/20 0.34
HIF1A Q16665 2/20 0.31
MMP2 P08253 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
ACE P12821 5/20 0.31

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
SCHEMBL4183030 1.00 KIF11 (0.36) KIF11SCDHIF1AMMP2FNTA
SCHEMBL1667518 0.74 KIF11 (0.39) KIF11SCDFNTAFNTB
SCHEMBL1667521 0.74 KIF11 (0.39) KIF11SCDFNTAFNTB
SCHEMBL14713213 0.69 BACE1 (0.37)
SCHEMBL29288708 0.69 SCD (0.32) SCDHIF1A
SCHEMBL16499182 0.69 MAOB (0.34) SCD
SCHEMBL10601488 0.69 MAOB (0.33) SCD
SCHEMBL31742548 0.69 MAOB (0.33) SCD
SCHEMBL5182985 0.68 CYP2C9 (0.36) SCD
SCHEMBL7919906 0.68 MAOB (0.35) SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190345505-A1 METHODS FOR REGULATING EXTRACTABLE PROANTHOCYANIDINS (PAS) IN PLANTS BY AFFECTING LEUCOANTHOCYANIDIN REDUCTASE (LAR) UNIVERSITY OF NORTH TEXAS (US) 2019-11-14 US disclosed
CN-102933569-A Method of preparing derivatives/oligomers of epicatechin and applications thereof UNIV SINGAPORE 2013-02-13 CN disclosed
US-20120323016-A1 METHOD OF PREPARING DERIVATIVES/OLIGOMERS OF EPICATECHIN AND APPLICATIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-12-20 US disclosed
EP-1524270-B1 SULFUR-CONTAINING PROANTHOCYANIDIN OLIGOMER COMPOSITION AND PROCESS FOR PRODUCING THE SAME AMINO UP CHEMICAL CO LTD (JP) 2009-08-26 EP 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-20120323016-A1 METHOD OF PREPARING DERIVATIVES/OLIGOMERS OF EPICATECHIN AND APPLICATIONS THEREOF OSTC, PROC, C9 KIF11 948/4885SCD 902/4885HIF1A 3845/4885

“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.