SCHEMBL3083608

SCHEMBL3083608

CCCN(CCC)C(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.58
PAX8 Q06710 1/20 0.58
ALDH1A1 P00352 6/20 0.55
TDP1 Q9NUW8 3/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
TP53 P04637 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
ALOX5 P09917 1/20 0.47
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
LMNA P02545 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45

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
Carbamic Acid SCHEMBL25282587 0.95 CCR6 (0.55) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL18057682 0.94 CCR6 (0.60) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL13661129 0.94 CCR6 (0.57) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL18594775 0.93 CCR6 (0.52) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL15508590 0.92 CCR6 (0.63) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL8900957 0.92 CCR6 (0.51) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL17275425 0.91 CCR6 (0.61) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL18057683 0.91 CCR6 (0.61) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL13049197 0.91 CCR6 (0.50) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL14476880 0.90 CCR6 (0.63) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250353805-A1 PROCESS GIVAUDAN SA (CH) 2025-11-20 US disclosed
EP-4452914-A1 PROCESS Givaudan SA (CH) 2024-10-30 EP disclosed
WO-2023118051-A1 PROCESS GIVAUDAN SA (CH) 2023-06-29 WO disclosed
US-11666625-B2 Pharmaceutical compositions and preparations for administration to the eye Allegro Pharmaceuticals, LLC (US) 2023-06-06 US disclosed
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 EP disclosed
US-20130005674-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 2013-01-03 US disclosed
US-8114856-B2 Antibacterial 4,5-substituted aminoglycoside analogs having multiple substituents ISIS PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-20110166334-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ISIS PHARMACEUTICALS,INC. (US) 2011-07-07 US disclosed
US-7795166-B2 Functional group-selective hydrogenation catalyst and functional group-selective hydrogenation method N.E. CHEMCAT CORPORATION (JP) 2010-09-14 US disclosed
US-20070155617-A1 FUNCTIONAL GROUP-SELECTIVE HYDROGENATION CATALYST AND FUNCTIONAL GROUP-SELECTIVE HYDROGENATION METHOD N. E. CHEMCAT CORPORATION (JP) 2007-07-05 US disclosed
WO-2004037809-A1 TRIAZOLE COMPOUNDS FOR THE TREATMENT OF DYSMENORRHOEA PFIZER LIMITED (GB) 2004-05-06 WO 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 (4 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-20110166334-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ALG8, MRPL21, AADAC CCR6 3285/4885PAX8 4700/4885ALDH1A1 2097/4885
US-20130005674-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ALG8, MRPL21, AADAC CCR6 3285/4885PAX8 4700/4885ALDH1A1 2097/4885
US-11666625-B2 Pharmaceutical compositions and preparations for administration to the eye GCG, HGFAC, ARGLU1 CCR6 51/4885PAX8 3345/4885ALDH1A1 2782/4885
US-20250353805-A1 PROCESS DEGS1, FDFT1, SQLE CCR6 3793/4885PAX8 2982/4885ALDH1A1 1921/4885

“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.