SCHEMBL413898

SCHEMBL413898

O=C(O)CN(CCCCNCCC(NC(=O)C(=O)OCc1ccccc1)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.51
PAX8 Q06710 1/20 0.51
HTT P42858 1/20 0.38
FOLH1 Q04609 6/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
REN P00797 1/20 0.35
SIRT5 Q9NXA8 2/20 0.35
SIRT2 Q8IXJ6 2/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 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
SCHEMBL413800 0.93 CCR6 (0.52) CCR6PAX8HTTFOLH1SMN1; SMN2
SCHEMBL418499 0.85 CCR6 (0.50) CCR6PAX8SMN1; SMN2RENSIRT2
SCHEMBL416891 0.84 CCR6 (0.48) CCR6PAX8SMN1; SMN2RENSIRT2
SCHEMBL13884597 0.78 CCR6 (0.61) CCR6PAX8HTTFOLH1SMN1; SMN2
SCHEMBL413897 0.77 CCR6 (0.53) CCR6PAX8HTTMEN1KMT2A
SCHEMBL461994 0.77 CCR6 (0.55) CCR6PAX8FOLH1SIRT5SIRT2
SCHEMBL413799 0.75 CCR6 (0.50) CCR6PAX8HTTMEN1KMT2A
SCHEMBL415526 0.75 CCR6 (0.60) CCR6PAX8HTTFOLH1SMN1; SMN2
SCHEMBL413798 0.74 CCR6 (0.59) CCR6PAX8HTTFOLH1SMN1; SMN2
SCHEMBL10025427 0.73 CCR6 (0.58) CCR6PAX8HTTFOLH1SMN1; SMN2

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 2180/4885HTT 2168/4885

“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.