SCHEMBL3695343

SCHEMBL3695343

c1ccc2oc(-c3ccc4[nH]ccc4c3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
ALOX5 P09917 1/20 0.54
CASP3 P42574 2/20 0.53
SENP7 Q9BQF6 2/20 0.53
SENP6 Q9GZR1 2/20 0.53
HCRTR1 O43613 2/20 0.53
IKBKB O14920 1/20 0.53
CHUK O15111 1/20 0.53
MAOB P27338 3/20 0.53
ADRA2A P08913 1/20 0.51
MAOA P21397 2/20 0.50
PTPRC P08575 1/20 0.49
PTPN1 P18031 1/20 0.49
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 2/20 0.47
PRKDC P78527 1/20 0.45
TRPA1 O75762 1/20 0.44
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44

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
SCHEMBL7088340 0.88 ALOX5 (0.54) NPC1ALOX5CASP3SENP7SENP6
SCHEMBL22222028 0.86 HDAC6 (0.52) NPC1ALOX5CASP3SENP7SENP6
SCHEMBL20466823 0.85 HDAC6 (0.43) NPC1ALOX5CASP3SENP7SENP6
SCHEMBL6583412 0.78 ALOX5 (0.66) NPC1ALOX5IKBKBCHUKMAOB
SCHEMBL19346119 0.77 HDAC6 (0.43) NPC1ALOX5CASP3SENP7SENP6
SCHEMBL13201323 0.76 GSK3B (0.58) NPC1ALOX5MAOBMAOATRPA1
SCHEMBL19217080 0.76 ALOX5 (0.42) NPC1ALOX5CASP3SENP7SENP6
SCHEMBL4659168 0.75 MAOB (0.78) NPC1ALOX5MAOBADRA2AMAOA
SCHEMBL223274 0.75 PTPRC (0.59) NPC1ALOX5IKBKBCHUKMAOB
SCHEMBL29791652 0.75 PTPRC (0.59) NPC1ALOX5IKBKBCHUKMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250002519-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME UNIV YALE (US) 2025-01-02 US disclosed
US-12071445-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same YALE UNIVERSITY (US) 2024-08-27 US disclosed
US-20230203077-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2023-06-29 US disclosed
US-20230203077-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2023-06-29 US disclosed
US-20230203077-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2023-06-29 US disclosed
US-11603381-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same YALE UNIVERSITY (US) 2023-03-14 US disclosed
US-20210061834-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2021-03-04 US disclosed
US-20210061834-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2021-03-04 US disclosed
US-10894802-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same YALE UNIVERSITY (US) 2021-01-19 US disclosed
US-10894802-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same YALE UNIVERSITY (US) 2021-01-19 US disclosed
US-9006463-B2 Slow release of organoboronic acids in cross-coupling reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-04-14 US disclosed
US-9006463-B2 Slow release of organoboronic acids in cross-coupling reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-04-14 US disclosed
US-20130317223-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-11-28 US disclosed
US-8338601-B2 Slow release of organoboronic acids in cross-coupling reactions BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-12-25 US disclosed
US-8338601-B2 Slow release of organoboronic acids in cross-coupling reactions BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-12-25 US disclosed
US-7772256-B2 2-heteroaryl substituted benzothiophenes and benzofuranes 709 ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-20100121062-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-05-13 US disclosed
US-20100121062-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-05-13 US disclosed
WO-2010036921-A2 SLOW RELEASE OF ORGANOBORONIC ACIDS IN CROSS-COUPLING REACTIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-04-01 WO disclosed
US-20080221149-A1 2-[6-(methylamino)pyridin-3-yl]-1-benzofuran-5-ol; for imaging amyloid deposits in living patients ASTRAZENECA AB (SE) 2008-09-11 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 (9 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-20250002519-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME TIMCC, YAP1, TET2 NPC1 4247/4885ALOX5 2144/4885CASP3 3914/4885
US-20100121062-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 NPC1 1531/4885ALOX5 3480/4885CASP3 293/4885
US-11603381-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same TIMCC, YAP1, TET2 NPC1 3836/4885ALOX5 2404/4885CASP3 3547/4885
US-20210061834-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME TIMCC, YAP1, TET2 NPC1 4247/4885ALOX5 2144/4885CASP3 3914/4885
US-20230203077-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME TIMCC, YAP1, TET2 NPC1 4247/4885ALOX5 2144/4885CASP3 3914/4885
US-20130317223-A1 Slow Release of Organoboronic Acids in Cross-Coupling Reactions BRS3, CD79B, GRB2 NPC1 1531/4885ALOX5 3480/4885CASP3 293/4885
US-20080221149-A1 2-[6-(methylamino)pyridin-3-yl]-1-benzofuran-5-ol; for imaging amyloid deposits in living patients PSEN1, APP, PSEN2 NPC1 462/4885ALOX5 695/4885CASP3 2587/4885
US-10894802-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same TIMCC, YAP1, TET2 NPC1 3836/4885ALOX5 2404/4885CASP3 3547/4885
US-12071445-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same TIMCC, YAP1, TET2 NPC1 3836/4885ALOX5 2404/4885CASP3 3547/4885

“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.