SCHEMBL13751940

SCHEMBL13751940

CCCCN(CC(=O)OCc1ccccc1)C(=O)OCCl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CCKBR P32239 1/20 0.43
▸ CETP P11597 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ LTB4R2 Q9NPC1 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CDC25B P30305 1/20 0.38

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
SCHEMBL13751991 0.88 CCR6 (0.46) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL24821066 0.83 CCR6 (0.54) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL11928331 0.82 CCR6 (0.49) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL14476880 0.82 CCR6 (0.63) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL25245639 0.82 CCR6 (0.41) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL11305822 0.81 CCR6 (0.51) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL25209279 0.81 L3MBTL1 (0.40) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL18057682 0.80 CCR6 (0.60) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL9942494 0.80 CCR6 (0.57) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL25628629 0.80 CCR6 (0.64) CCR6PAX8ALDH1A1MAPK1L3MBTL1

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-20090209585-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-20 — — 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-20090209585-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME SQLE, FDFT1, PTGIS CCR6 791/4885PAX8 3204/4885ALDH1A1 572/4885

“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.

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