SCHEMBL3945201

SCHEMBL3945201

CCCN(CCC)c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 2/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
AOC3 Q16853 2/20 0.43
CNR2 P34972 1/20 0.43
SLC2A1 P11166 1/20 0.42
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 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
SCHEMBL14608249 0.92 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL13725776 0.89 GSK3B (0.50) CA12CA1CA2CA7CA9
SCHEMBL1573445 0.88 CNR2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL20871181 0.87 CNR2 (0.50) MAPTALDH1A1AOC3CNR2MEN1
SCHEMBL24359339 0.86 CNR2 (0.52) CA12CA1CA2CA7CA9
SCHEMBL13675157 0.85 CNR2 (0.40) CA12CA1CA2CA7CA9
SCHEMBL7150414 0.83 EGFR (0.47) MAPTALDH1A1SMN1; SMN2MAPK1GAA
SCHEMBL9127195 0.82 PDE4B (0.51) MAPTALDH1A1SMN1; SMN2CNR2KDM4E
SCHEMBL1263095 0.82 ALDH1A1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL20871176 0.81 CNR2 (0.55) MAPTALDH1A1CNR2NPSR1NR1I2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109562025-B Powder-liquid type inner material for denture base 株式会社德山齿科 2022-03-22 CN disclosed
EP-3310795-B1 POLYMERIZATION OF SILYL- AND FLUORO-CONTAINING MONOMERS SCRIPPS RESEARCH INST (US) 2021-06-16 EP disclosed
EP-3102204-B1 HIGHLY SELECTIVE SIGMA 1 RECEPTOR LIGANDS AND RADIOLIGANDS AS PROBES IN NOCICEPTIVE PROCESSING AND THE PATHOPHYSIOLOGICAL STUDY OF MEMORY DEFICITS AND COGNITIVE DISORDERS THE UNIV OF MISSISSIPPI (US) 2021-05-05 EP disclosed
US-10973740-B2 Powder-liquid type denture base lining material TOKUYAMA DENTAL CORPORATION (JP) 2021-04-13 US disclosed
EP-3186227-B1 NOVEL SULFONYLAMINOBENZAMIDE COMPOUNDS AS ANTHELMINTICS ELANCO TIERGESUNDHEIT AG (CH) 2021-03-24 EP disclosed
EP-3488842-B1 POWDER-LIQUID TYPE DENTAL PLATE LINER TOKUYAMA DENTAL CORP (JP) 2021-03-24 EP disclosed
EP-3792251-A1 NOVEL SULFONYLAMINOBENZAMIDE COMPOUNDS AS ANTHELMINTICS Elanco Tiergesundheit AG (CH) 2021-03-17 EP disclosed
CN-107920876-B Reference denture base, reference denture, denture creation tool, and denture creation method 株式会社德山齿科 2020-10-23 CN disclosed
EP-3342370-B1 REFERENCE DENTAL PLATE, REFERENCE DENTURE, DENTURE FABRICATION KIT AND DENTURE FABRICATION METHOD TOKUYAMA DENTAL CORP (JP) 2020-10-14 EP disclosed
US-10717820-B2 Polymerization of silyl- and fluoro-containing monomers THE SCRIPPS RESEARCH INSTITUTE (US) 2020-07-21 US disclosed
US-20170007378-A1 DENTAL PLATE LINER TOKUYAMA DENTAL CORPORATION (JP) 2017-01-12 US disclosed
EP-3093000-A1 DENTAL PLATE LINER Tokuyama Dental Corporation (JP) 2016-11-16 EP disclosed
WO-2016033341-A1 NOVEL SULFONYLAMINOBENZAMIDE COMPOUNDS AS ANTHELMINTICS NOVARTIS TIERGESUNDHEIT AG (CH) 2016-03-03 WO disclosed
EP-2990403-A1 ANTHRANILAMIDES, SULFONAMIDES AND NITRO ANALOGUES DERIVED THEREFROM AS ANTHELMINTICS Novartis Tiergesundheit AG (CH) 2016-03-02 EP disclosed
US-7608619-B2 Substituted oxazole compounds with analgesic activity GRUENENTHAL GMBH (DE) 2009-10-27 US disclosed
EP-1348416-B1 ADHESIVE COMPOSITIONS FOR BACK-COATING DENTAL PLATE AND HARDENING COMPOSITIONS FOR DENTAL USE TOKUYAMA CORP (JP) 2009-04-22 EP disclosed
US-20090069330-A1 Substituted Oxazole Compounds with Analgesic Activity GRUENENTHAL GMBH (DE) 2009-03-12 US disclosed
US-7056961-B2 Adhesive composition for denture base relining material and dental curable composition TOKUYAMA CORPORATION (JP) 2006-06-06 US disclosed
US-20040048948-A1 Adhesive composition for denture base relining material and dental curable composition TOKUYAMA DENTAL CORPORATION (JP) 2004-03-11 US disclosed
EP-1348416-A1 ADHESIVE COMPOSITIONS FOR BACK-COATING DENTAL PLATE AND HARDENING COMPOSITIONS FOR DENTAL USE TOKUYAMA CORPORATION (JP) 2003-10-01 EP 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-10973740-B2 Powder-liquid type denture base lining material TAS2R8, TAS2R1, AOC1 CA12 4358/4885CA1 2369/4885CA2 3621/4885
US-20090069330-A1 Substituted Oxazole Compounds with Analgesic Activity OPRK1, OPRD1, OPRM1 CA12 2984/4885CA1 1320/4885CA2 3067/4885
US-10717820-B2 Polymerization of silyl- and fluoro-containing monomers F12, ZYX, PYM1 CA12 2648/4885CA1 1022/4885CA2 2051/4885
US-20040048948-A1 Adhesive composition for denture base relining material and dental curable composition TAS2R42, TAF1, CAD CA12 234/4885CA1 12/4885CA2 987/4885

“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.