SCHEMBL10232646

SCHEMBL10232646

NCCN(CCN(CCN)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.57
PAX8 Q06710 1/20 0.57
ALDH1A1 P00352 5/20 0.49
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.44
HCAR2 Q8TDS4 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL5557184 0.98 CCR6 (0.58) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL23683127 0.91 CCR6 (0.56) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL10181395 0.90 CCR6 (0.61) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL19795748 0.90 CCR6 (0.58) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL1328808 0.89 CCR6 (0.50) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL759516 0.87 CCR6 (0.66) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL10230233 0.87 CCR6 (0.62) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL8777398 0.87 CCR6 (0.46) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL25448882 0.86 CCR6 (0.51) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL7535687 0.86 CCR6 (0.64) CCR6PAX8ALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738620-B2 Trientine prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-08-22 US disclosed
US-20170129868-A1 TRIENTINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-05-11 US disclosed
US-8034376-B2 Lipid containing formulations Alnylam Pharamaceticals, Inc. (US) 2011-10-11 US disclosed
US-20090023673-A1 LIPID CONTAINING FORMULATIONS BANK OF AMERICA, N.A. 2009-01-22 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-20170129868-A1 TRIENTINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE SLC10A1, ABCB11, SLC10A2 CCR6 1617/4885PAX8 3930/4885ALDH1A1 688/4885
US-20090023673-A1 LIPID CONTAINING FORMULATIONS LIPA, POLRMT, PHOSPHO1 CCR6 2172/4885PAX8 3267/4885ALDH1A1 3971/4885

“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.