SCHEMBL1573445

SCHEMBL1573445

CCCCN(CCCC)c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
EGFR P00533 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PDGFRB P09619 1/20 0.43
KDR P35968 1/20 0.43
SLC16A3 O15427 1/20 0.43
SLC16A1 P53985 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43

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
SCHEMBL24359339 0.94 CNR2 (0.52) CNR2CA12CA1CA2CA7
SCHEMBL22340749 0.88 CNR2 (0.54) CNR2MAPTUSP2LMNACYP1A2
SCHEMBL3945201 0.88 CA12 (0.48) CNR2CA12CA1CA2CA7
SCHEMBL9750095 0.87 HDAC3 (0.44) CNR2EGFRSMN1; SMN2PDGFRBKDR
SCHEMBL9915648 0.87 AHR (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9749949 0.87 MEN1 (0.50) CNR2CA1CA2EGFRSLC16A3
SCHEMBL7153351 0.85 EGFR (0.50) CNR2EGFRALDH1A1GAAMAPT
SCHEMBL11808213 0.85 CNR2 (0.49) CNR2SLC16A3SLC16A1AOC3USP2
SCHEMBL13568699 0.84 PTGES (0.51) SMN1; SMN2ALDH1A1CYP2D6
SCHEMBL22340477 0.83 CNR2 (0.60) CNR2MAPTUSP2LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 US claimed
CN-101184711-A Nucleophilic heterocyclic carbene derivatives of pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-05-21 CN claimed
EP-1885669-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS Promerus LLC (US) 2008-02-13 EP claimed
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2006-12-21 US claimed
WO-2006128097-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS PROMERUS LLC (US) 2006-11-30 WO claimed
CN-115448909-B N-carbazolyl-1H-pyrrole-2-carboxamide and application thereof as ligand in copper-catalyzed C-N coupling reaction 中山大学 2023-10-27 CN disclosed
CN-115448909-A N-carbazolyl-1H-pyrrole-2-formamide and application thereof as ligand in copper-catalyzed C-N coupling reaction 中山大学 2022-12-09 CN disclosed
CN-109562025-B Powder-liquid type inner material for denture base 株式会社德山齿科 2022-03-22 CN disclosed
US-10973740-B2 Powder-liquid type denture base lining material TOKUYAMA DENTAL CORPORATION (JP) 2021-04-13 US disclosed
EP-3488842-B1 POWDER-LIQUID TYPE DENTAL PLATE LINER TOKUYAMA DENTAL CORP (JP) 2021-03-24 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-20040245432-A1 Two-photon absorbing polymerization method, two-photon absorbing optical recording material and two-photon absorbing optical recording method FUJI PHOTO FILM CO., LTD. 2004-12-09 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
EP-1313560-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2003-05-28 EP disclosed
US-6562989-B2 Bicyclopentyl iron ligand and transition metal catalyst YALE UNIVERSITY 2003-05-13 US disclosed
US-20030008768-A1 Catalyst for aromatic C-O, C-N, and C-C bond formation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
WO-2002011883-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2002-02-14 WO disclosed
US-5158949-A 1,3-DIOXOLANE DERIVATIVES AS CHOLESTEROL-LOWERING AGENTS SYNTEX (U.S.A.) INC. (US) 1992-10-27 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 (3 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 CNR2 4342/4885CA12 4358/4885CA1 2369/4885
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions NDC1, DDC, PDCD1LG2 CNR2 1149/4885CA12 426/4885CA1 1818/4885
US-20040048948-A1 Adhesive composition for denture base relining material and dental curable composition TAS2R42, TAF1, CAD CNR2 4486/4885CA12 234/4885CA1 12/4885

“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.