SCHEMBL413897

SCHEMBL413897

O=CNC(CCN(CCCCN(CC(=O)O)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.53
PAX8 Q06710 1/20 0.53
ABCB1 P08183 2/20 0.34
HTT P42858 1/20 0.34
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
CCKBR P32239 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CTSB P07858 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL413799 0.94 CCR6 (0.50) CCR6PAX8ABCB1HTTSLC1A3
SCHEMBL416890 0.83 CCR6 (0.46) CCR6PAX8ABCB1CCKBR
SCHEMBL418498 0.83 CCR6 (0.53) CCR6PAX8ABCB1CCKBR
SCHEMBL8588043 0.80 CCR6 (0.47) CCR6PAX8HTTSLC1A3SLC1A1
SCHEMBL417986 0.78 CCR6 (0.53) CCR6PAX8SLC1A3SLC1A1CCKBR
SCHEMBL413898 0.77 CCR6 (0.51) CCR6PAX8HTTMEN1KMT2A
SCHEMBL413800 0.76 CCR6 (0.52) CCR6PAX8HTT
SCHEMBL10581083 0.75 HTT (0.46) HTTSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL27345619 0.75 CCR6 (0.56) CCR6PAX8CCKBR
SCHEMBL29875737 0.75 CCR6 (0.56) CCR6PAX8HTTKMT2A

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 2180/4885ABCB1 2781/4885

“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.