SCHEMBL759516

SCHEMBL759516

NCCCN(CCCCN(CCCN)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.66
PAX8 Q06710 1/20 0.66
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MC4R P32245 1/20 0.42
MC5R P33032 1/20 0.42
MC3R P41968 1/20 0.42
ADRA2C P18825 1/20 0.42
MAOA P21397 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
SCHEMBL7535687 0.98 CCR6 (0.64) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL2076709 0.93 CCR6 (0.59) CCR6PAX8SLC6A2SLC6A3KMT2A
SCHEMBL15355992 0.93 CCR6 (0.59) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL10181395 0.93 CCR6 (0.61) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL17377997 0.93 CCR6 (0.61) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL4890818 0.90 CCR6 (0.59) CCR6PAX8KMT2ATDP1MC4R
SCHEMBL4705691 0.89 CCR6 (0.62) CCR6PAX8SLC6A2SLC6A3KMT2A
SCHEMBL5557184 0.89 CCR6 (0.58) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL29875737 0.88 CCR6 (0.56) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL415520 0.88 CCR6 (0.64) CCR6PAX8L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138361-B2 C-10 carbamates of taxanes THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-03-20 US disclosed
US-8138361-B2 C-10 carbamates of taxanes THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-03-20 US disclosed
US-20100093973-A1 POLY(AMINO ACID) COMPOUND HAVING INHIBITORY ACTIVITY ON ABSORPTION OF PHOSPHORUS AND PHOSPHORUS ABSORPTION INHIBITOR AJINOMOTO CO., INC. (JP) 2010-04-15 US disclosed
US-20090306014-A1 C-10 CARBAMATES OF TAXANES ACIDOPHIL LLC (US) 2009-12-10 US disclosed
US-20090306014-A1 C-10 CARBAMATES OF TAXANES ACIDOPHIL LLC (US) 2009-12-10 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-20100093973-A1 POLY(AMINO ACID) COMPOUND HAVING INHIBITORY ACTIVITY ON ABSORPTION OF PHOSPHORUS AND PHOSPHORUS ABSORPTION INHIBITOR ALPI, SLC7A1, SLC34A1 CCR6 4681/4885PAX8 2777/4885ALDH1A1 4703/4885
US-20090306014-A1 C-10 CARBAMATES OF TAXANES CASP10, S100A10, ATXN10 CCR6 1015/4885PAX8 200/4885ALDH1A1 1408/4885

“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.