SCHEMBL416890

SCHEMBL416890

CCOC(=O)CN(CCCN(CCCC(NC=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.46
PAX8 Q06710 1/20 0.46
ALOX5 P09917 1/20 0.36
LTA4H P09960 2/20 0.36
ABCB1 P08183 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
CCKBR P32239 1/20 0.35
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIN1 Q13526 1/20 0.33

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 0.89 CCR6 (0.50) CCR6PAX8ABCB1
SCHEMBL418498 0.84 CCR6 (0.53) CCR6PAX8ALOX5LTA4HABCB1
SCHEMBL413897 0.83 CCR6 (0.53) CCR6PAX8ABCB1CCKBR
SCHEMBL416891 0.80 CCR6 (0.48) CCR6PAX8ALOX5LTA4HSIRT2
SCHEMBL2214824 0.77 CCR6 (0.53) CCR6PAX8ALOX5LTA4HLMNA
SCHEMBL417432 0.76 CCR6 (0.57) CCR6PAX8ALOX5LTA4HSIRT2
SCHEMBL416889 0.76 CCR6 (0.54) CCR6PAX8SIRT2SIRT1LMNA
SCHEMBL11928331 0.76 CCR6 (0.49) CCR6PAX8ALOX5LTA4HLMNA
SCHEMBL3978302 0.76 ALOX5 (0.54) CCR6PAX8ALOX5LTA4HCCKBR
SCHEMBL2215061 0.76 CCR6 (0.46) CCR6PAX8ALOX5LTA4HLMNA

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 2180/4885ALOX5 1093/4885

“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.