SCHEMBL418499

SCHEMBL418499

CCOC(=O)CNCCCN(CCCCNCCC(NC(=O)C(=O)OCc1ccccc1)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.50
PAX8 Q06710 1/20 0.50
LTA4H P09960 8/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
SIRT2 Q8IXJ6 3/20 0.38
SIRT1 Q96EB6 1/20 0.38
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
REN P00797 1/20 0.35
CCKBR P32239 1/20 0.35

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
SCHEMBL416891 0.87 CCR6 (0.48) CCR6PAX8LTA4HSMN1; SMN2SIRT2
SCHEMBL413898 0.85 CCR6 (0.51) CCR6PAX8SMN1; SMN2SIRT2SIRT1
SCHEMBL418498 0.83 CCR6 (0.53) CCR6PAX8LTA4HSIRT2SIRT1
SCHEMBL415194 0.81 CCR6 (0.60) CCR6PAX8LTA4HSMN1; SMN2SIRT2
SCHEMBL414180 0.81 CCR6 (0.60) CCR6PAX8LTA4HSMN1; SMN2SIRT2
SCHEMBL413800 0.81 CCR6 (0.52) CCR6PAX8SMN1; SMN2REN
SCHEMBL415507 0.80 CCR6 (0.61) CCR6PAX8LTA4HSMN1; SMN2SIRT2
SCHEMBL417372 0.80 CCR6 (0.58) CCR6PAX8LTA4HSMN1; SMN2SIRT2
SCHEMBL415195 0.78 CCR6 (0.55) CCR6PAX8LTA4HSIRT2SIRT1
SCHEMBL13884727 0.73 LTA4H (0.47) CCR6PAX8LTA4HSMN1; SMN2SIRT2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed

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.