SCHEMBL20206397

SCHEMBL20206397

CCC(=O)COCCCCCN(C)CC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.42
KDM5A P29375 5/20 0.38
KDM4C Q9H3R0 5/20 0.38
PLA2G4B P0C869 3/20 0.35
MAOB P27338 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
NAAA Q02083 1/20 0.32
LSS P48449 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PHF8 Q9UPP1 2/20 0.30
KDM4A O75164 1/20 0.30

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
SCHEMBL12342360 0.85 TDP1 (0.35) CES2KDM5AKDM4C
SCHEMBL24486203 0.82 BLM (0.34) KDM5AKDM4C
SCHEMBL20234217 0.80 CES2 (0.40) CES2KDM5AKDM4CMAOBS1PR2
SCHEMBL19963552 0.80 CES2 (0.40) CES2PLA2G4BNAAA
SCHEMBL15315161 0.77 CES2 (0.67) CES2PLA2G4BNAAAMEN1KMT2A
SCHEMBL23064089 0.77 CES2 (0.67) CES2PLA2G4BNAAAMEN1KMT2A
SCHEMBL15315165 0.77 CES2 (0.67) CES2PLA2G4BNAAAMEN1KMT2A
SCHEMBL23064078 0.77 CES2 (0.67) CES2PLA2G4BNAAAMEN1KMT2A
SCHEMBL15315159 0.77 CES2 (0.67) CES2PLA2G4BNAAAMEN1KMT2A
SCHEMBL22006241 0.75 CES2 (0.39) CES2KDM5AKDM4CS1PR2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180147202-A1 TANK-BINDING KINASE-1 PROTACs AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-05-31 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 (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-20180147202-A1 TANK-BINDING KINASE-1 PROTACs AND ASSOCIATED METHODS OF USE TBK1, TBKBP1, TNKS CES2 4513/4885KDM5A 1229/4885KDM4C 1315/4885

“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.