SCHEMBL4598025

SCHEMBL4598025

CCOC(=O)C1CCC(Oc2ccc(C)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.50
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.44
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2C19 P33261 1/20 0.40

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
SCHEMBL25835533 1.00 DGAT1 (0.50) DGAT1ALDH1A1KMT2AHCRTR1HCRTR2
SCHEMBL30356854 0.88 DGAT1 (0.43) DGAT1ALDH1A1HCRTR1HCRTR2KDM4E
SCHEMBL14968084 0.87 DGAT1 (0.50) DGAT1ALDH1A1KMT2AKDM4ETSHR
SCHEMBL669097 0.87 DGAT1 (0.50) DGAT1ALDH1A1KMT2AKDM4ETSHR
SCHEMBL14968065 0.87 DGAT1 (0.50) DGAT1ALDH1A1KMT2AKDM4ETSHR
SCHEMBL1589689 0.87 DGAT1 (0.48) DGAT1KMT2AGAAPOLBMEN1
SCHEMBL4598307 0.85 KMT2A (0.48) DGAT1ALDH1A1KMT2AKDM4EGAA
SCHEMBL30754857 0.84 LIPE (0.52) DGAT1HCRTR1GAAPOLB
SCHEMBL14596989 0.84 DPP4 (0.52) DGAT1ALDH1A1KMT2AHCRTR1HCRTR2
SCHEMBL1588601 0.83 MAPT (0.55) DGAT1ALDH1A1KMT2AKDM4EGAA

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
WO-2011031628-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-03-17 WO disclosed
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 DGAT1 2918/4885ALDH1A1 3484/4885KMT2A 4627/4885

“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.