SCHEMBL417675

SCHEMBL417675

NCCCN(CCCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.60
PAX8 Q06710 1/20 0.60
HTT P42858 1/20 0.56
TGM2 P21980 1/20 0.54
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KEAP1 Q14145 2/20 0.52
NFE2L2 Q16236 2/20 0.52
CPB1 P15086 1/20 0.48
CPB2 Q96IY4 1/20 0.48
ANPEP P15144 1/20 0.48
DPP8 Q6V1X1 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
FOLH1 Q04609 3/20 0.47
SLC1A3 P43003 1/20 0.46
SLC1A1 P43005 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL415520 0.98 CCR6 (0.64) CCR6PAX8HTTTGM2LMNA
SCHEMBL2075425 0.98 CCR6 (0.60) CCR6PAX8HTTTGM2LMNA
SCHEMBL411758 0.98 CCR6 (0.60) CCR6PAX8HTTTGM2LMNA
SCHEMBL2076254 0.96 CCR6 (0.62) CCR6PAX8HTTTGM2LMNA
SCHEMBL2076561 0.95 CCR6 (0.60) CCR6PAX8HTTTGM2LMNA
SCHEMBL416941 0.95 CCR6 (0.64) CCR6PAX8HTTTGM2LMNA
SCHEMBL4704081 0.94 CCR6 (0.60) CCR6PAX8HTTTGM2LMNA
Hydrochloric Acid SCHEMBL9501043 0.94 CCR6 (0.62) CCR6PAX8HTTTGM2LMNA
SCHEMBL3760231 0.92 CCR6 (0.57) CCR6PAX8HTTTGM2LMNA
SCHEMBL4705691 0.91 CCR6 (0.62) CCR6PAX8HTTTGM2LMNA

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 3 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-20130171067-A1 TECHNETIUM-99m COMPLEX AS A TOOL FOR THE IN VIVO DIAGNOSIS OF CANCEROUS TUMOURS PIERRE FABRE MEDICAMENT (FR) 2013-07-04 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 (2 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-20130171067-A1 TECHNETIUM-99m COMPLEX AS A TOOL FOR THE IN VIVO DIAGNOSIS OF CANCEROUS TUMOURS SLC40A1, CDC73, BRCA1 CCR6 2024/4885PAX8 3639/4885HTT 1900/4885
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.