SCHEMBL417676

SCHEMBL417676

NCCCN(CCCC(N)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.52
PAX8 Q06710 1/20 0.52
LTA4H P09960 1/20 0.46
MMP2 P08253 1/20 0.43
MC4R P32245 3/20 0.41
MC5R P33032 3/20 0.41
MC3R P41968 3/20 0.41
ANPEP P15144 1/20 0.40
IDO1 P14902 1/20 0.40
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
EPOR P19235 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A1 P43005 1/20 0.39
ERAP2 Q6P179 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39

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
SCHEMBL415523 0.94 CCR6 (0.54) CCR6PAX8LTA4HMMP2MC4R
SCHEMBL759516 0.87 CCR6 (0.66) CCR6PAX8MC4RMC5RMC3R
SCHEMBL7535687 0.85 CCR6 (0.64) CCR6PAX8MC4RMC5RMC3R
SCHEMBL20335061 0.85 LTA4H (0.52) LTA4HMMP2ANPEPIDO1DPP8
SCHEMBL4622400 0.85 LTA4H (0.52) LTA4HMMP2ANPEPIDO1DPP8
Hydrochloric Acid SCHEMBL547894 0.84 LTA4H (0.51) LTA4HMMP2ANPEPIDO1DPP8
SCHEMBL676143 0.84 LTA4H (0.57) LTA4HMMP2ANPEPIDO1DPP8
SCHEMBL730307 0.84 LTA4H (0.57) LTA4HMMP2ANPEPIDO1DPP8
SCHEMBL417986 0.83 CCR6 (0.53) CCR6PAX8LTA4HANPEPIDO1
SCHEMBL27944748 0.83 CCR6 (0.53) CCR6PAX8LTA4HANPEPIDO1

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-8664409-B2 Process for the preparation of (poly) aminoalkylaminoacetamide derivatives of epipodophyllotoxin useful for their applications in therapeutics as anticancer agent PIERRE FABRE MEDICAMENT (FR) 2014-03-04 US disclosed
US-20120022273-A1 PROCESS FOR THE PREPARATION OF (POLY) AMINOALKYLAMINOACETAMIDE DERIVATIVES OF EPIPODOPHYLLOTOXIN USEFUL FOR THEIR APPLICATIONS IN THERAPEUTICS AS ANTICANCER AGENT PIERRE FABRE MEDICAMENT (FR) 2012-01-26 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-20120022273-A1 PROCESS FOR THE PREPARATION OF (POLY) AMINOALKYLAMINOACETAMIDE DERIVATIVES OF EPIPODOPHYLLOTOXIN USEFUL FOR THEIR APPLICATIONS IN THERAPEUTICS AS ANTICANCER AGENT PTMA, NPEPPS, DNPEP CCR6 3824/4885PAX8 2180/4885LTA4H 1195/4885

“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.