SCHEMBL8875969

SCHEMBL8875969

c1ccc(P(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c(N2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.41
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
GRM5 P41594 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
CNR2 P34972 3/20 0.35
HSD11B1 P28845 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL8877389 1.00 KEAP1 (0.41) KEAP1MAPK1GAAALDH1A1NPSR1
SCHEMBL8876593 0.98 KEAP1 (0.39) KEAP1MAPK1GAAALDH1A1NPSR1
SCHEMBL8875976 0.95 ALDH1A1 (0.38) KEAP1MAPK1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL8891248 0.94 KEAP1 (0.37) KEAP1MAPK1GAAALDH1A1NPSR1
SCHEMBL8883305 0.87 ALDH1A1 (0.36) MAPK1ALDH1A1NPSR1SMN1; SMN2GRM5
SCHEMBL8877376 0.86 SIGMAR1 (0.36) MAPK1GAAALDH1A1NPSR1SMN1; SMN2
SCHEMBL8881580 0.85 SIGMAR1 (0.47) ALDH1A1LMNAMAPTSIGMAR1TSHR
SCHEMBL8877384 0.85 SIGMAR1 (0.47) MAPK1ALDH1A1NPSR1SMN1; SMN2GRM5
SCHEMBL8877346 0.85 EPHX2 (0.42) ALDH1A1NPSR1SMN1; SMN2NPC1LMNA
SCHEMBL8883193 0.85 MAPK1 (0.31) MAPK1ALDH1A1NPSR1SMN1; SMN2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12233402-B2 Cross-coupling reaction catalysts, and methods of making and using same YALE UNIVERSITY (US) 2025-02-25 US claimed
US-20250002519-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME UNIV YALE (US) 2025-01-02 US claimed
US-12071445-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same YALE UNIVERSITY (US) 2024-08-27 US claimed
US-20230203077-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2023-06-29 US claimed
US-11603381-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same YALE UNIVERSITY (US) 2023-03-14 US claimed
US-20210061834-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2021-03-04 US claimed
EP-3736279-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME Yale University (US) 2020-11-11 EP claimed
CN-106795191-B Novel precatalyst scaffolds for crosslinking reactions and methods of making and using same 耶鲁大学 2020-07-03 CN claimed
EP-3204395-B1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME UNIV YALE (US) 2020-05-27 EP claimed
CN-110662753-A Cross-coupling reaction catalysts and methods of making and using the same 耶鲁大学 2020-01-07 CN claimed
US-20170305948-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME UNIV YALE (US) 2017-10-26 US claimed
EP-3204395-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME Yale University (US) 2017-08-16 EP claimed
WO-2016057600-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME YALE UNIVERSITY (US) 2016-04-14 WO claimed
US-12233402-B2 Cross-coupling reaction catalysts, and methods of making and using same YALE UNIVERSITY (US) 2025-02-25 US disclosed
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
EP-2881398-A1 Method for preparing aminoarylborane compounds or derivatives thereof Université de Bordeaux I (FR) 2015-06-10 EP disclosed
US-20130253185-A1 NOVEL CATALYSTS DALHOUSIE UNIVERSITY (CA) 2013-09-26 US disclosed
US-20130253185-A1 NOVEL CATALYSTS DALHOUSIE UNIVERSITY (CA) 2013-09-26 US disclosed
WO-2012068335-A2 NOVEL CATALYSTS DALHOUSIE UNIVERSITY (CA) 2012-05-24 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 (7 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 KEAP1 301/4885MAPK1 4626/4885GAA 3307/4885
US-11603381-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same TIMCC, YAP1, TET2 KEAP1 363/4885MAPK1 4616/4885GAA 3435/4885
US-20210061834-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME TIMCC, YAP1, TET2 KEAP1 301/4885MAPK1 4626/4885GAA 3307/4885
US-20230203077-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME TIMCC, YAP1, TET2 KEAP1 301/4885MAPK1 4626/4885GAA 3307/4885
US-20170305948-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME TIMCC, YAP1, TET2 KEAP1 301/4885MAPK1 4626/4885GAA 3307/4885
US-12233402-B2 Cross-coupling reaction catalysts, and methods of making and using same TET2, TIMCC, MDM4 KEAP1 557/4885MAPK1 4750/4885GAA 2325/4885
US-12071445-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same TIMCC, YAP1, TET2 KEAP1 363/4885MAPK1 4616/4885GAA 3435/4885

“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.