SCHEMBL417677

SCHEMBL417677

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCR6 P51684 1/20 0.39
PAX8 Q06710 1/20 0.39
SLC15A1 P46059 2/20 0.38
LTA4H P09960 3/20 0.37
EPOR P19235 2/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
CASP1 P29466 1/20 0.36
CDC25B P30305 1/20 0.36
CCKBR P32239 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL415524 0.89 CCR6 (0.48) ALDH1A1MAPK1L3MBTL1CCR6PAX8
SCHEMBL415196 0.82 LTA4H (0.45) ALDH1A1L3MBTL1CCR6PAX8LTA4H
SCHEMBL417987 0.80 CCR6 (0.46) ALDH1A1MAPK1L3MBTL1CCR6PAX8
SCHEMBL27463329 0.79 LMNA (0.38) ALDH1A1MAPK1L3MBTL1CCR6PAX8
SCHEMBL1240675 0.78 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1LTA4HKMT2A
SCHEMBL22273544 0.77 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1MEN1
SCHEMBL4920576 0.77 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1LTA4HKMT2A
Hydrochloric Acid SCHEMBL5969292 0.77 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1LTA4HKMT2A
SCHEMBL23535912 0.76 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1CCR6PAX8
SCHEMBL23975173 0.76 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1SLC15A1LTA4H

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 ALDH1A1 4168/4885MAPK1 4605/4885L3MBTL1 2982/4885

“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.