SCHEMBL415196

SCHEMBL415196

CCOC(=O)CNCCCN(C(=O)OCc1ccccc1)C(N)CCCC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.45
CCR6 P51684 1/20 0.43
PAX8 Q06710 1/20 0.43
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.38
PPID Q08752 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL417677 0.82 ALDH1A1 (0.40) LTA4HCCR6PAX8ALOX5ALDH1A1
SCHEMBL415195 0.79 CCR6 (0.55) LTA4HCCR6PAX8ALOX5PPID
SCHEMBL11307178 0.77 LTA4H (0.57) LTA4HALDH1A1MEN1HPGDKMT2A
SCHEMBL3294934 0.77 LTA4H (0.57) LTA4HALDH1A1MEN1HPGDKMT2A
SCHEMBL415507 0.73 CCR6 (0.61) LTA4HCCR6PAX8PPIDLMNA
SCHEMBL27463329 0.73 LMNA (0.38) CCR6PAX8ALOX5ALDH1A1MEN1
SCHEMBL6518216 0.73 PPID (0.59) LTA4HALDH1A1MEN1KMT2APKM
SCHEMBL414180 0.73 CCR6 (0.60) LTA4HCCR6PAX8PPIDLMNA
SCHEMBL415194 0.73 CCR6 (0.60) LTA4HCCR6PAX8PPIDLMNA
SCHEMBL415524 0.72 CCR6 (0.48) LTA4HCCR6PAX8ALDH1A1MEN1

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 LTA4H 1195/4885CCR6 3824/4885PAX8 2180/4885

“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.