SCHEMBL413840

SCHEMBL413840

O=C(O)CN(CCCNCCCCN(CCC(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.51
PAX8 Q06710 1/20 0.51
CTRB1 P17538 2/20 0.44
CYP3A4 P08684 2/20 0.36
CTSL P07711 1/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
FOLH1 Q04609 3/20 0.35
SIRT5 Q9NXA8 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
TACR1 P25103 2/20 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
SCHEMBL461994 0.80 CCR6 (0.55) CCR6PAX8CTSLFOLH1SIRT5
SCHEMBL13884597 0.77 CCR6 (0.61) CCR6PAX8FOLH1
SCHEMBL2074343 0.77 CTRB1 (0.51) CCR6PAX8CTRB1CYP3A4CTSL
SCHEMBL415526 0.75 CCR6 (0.60) CCR6PAX8FOLH1
SCHEMBL413768 0.75 CCR6 (0.64) CCR6PAX8FOLH1
SCHEMBL413839 0.74 CCR6 (0.62) CCR6PAX8FOLH1
SCHEMBL413798 0.74 CCR6 (0.59) CCR6PAX8FOLH1
SCHEMBL10025427 0.73 CCR6 (0.58) CCR6PAX8FOLH1
SCHEMBL9699019 0.73 HTT (0.63) CCR6PAX8FOLH1
SCHEMBL2076256 0.72 CTRB1 (0.56) CTRB1CYP3A4CTSLITGB3ITGA2B

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 2180/4885CTRB1 3579/4885

“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.