SCHEMBL4485948

SCHEMBL4485948

NCCCCC(C(=O)O)N(C=O)c1cc[c]cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.36
RNPEP Q9H4A4 1/20 0.35
EPOR P19235 3/20 0.34
CPB2 Q96IY4 7/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
CPB1 P15086 1/20 0.32
F2 P00734 1/20 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
SCHEMBL31259077 0.87 EPOR (0.40) GSRRNPEPEPORCPB2MMP2
SCHEMBL4482909 0.82 EPOR (0.34) GSREPOR
SCHEMBL4566397 0.76
SCHEMBL4024390 0.70 GSR (0.47) GSRRNPEPCPB2CPB1
SCHEMBL28184620 0.68 NPSR1 (0.33)
SCHEMBL6205350 0.68 GSR (0.39) GSR
SCHEMBL28720460 0.66 CPB2 (0.44) GSRRNPEPEPORCPB2CPB1
SCHEMBL4629185 0.66 MMP2 (0.40) GSRRNPEPEPORCPB2MMP2
SCHEMBL4629186 0.66 MMP2 (0.40) GSRRNPEPEPORCPB2MMP2
SCHEMBL14228039 0.66 GSR (0.50) GSRRNPEPCPB2CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511065-B2 Mixed lineage kinase modulators ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-20080113977-A1 Mixed Lineage Kinase Modulators ELI LILLY AND COMPANY 2008-05-15 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-20080113977-A1 Mixed Lineage Kinase Modulators MYLK2, CSNK1G2, CSNK1A1 GSR 4414/4885RNPEP 4353/4885EPOR 2575/4885

“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.