SCHEMBL2799259

SCHEMBL2799259

C[Si](C)(C)C#CC(O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.56
CACNB2 Q08289 1/20 0.56
CACNA1C Q13936 1/20 0.56
TSHR P16473 2/20 0.48
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.41
LMNA P02545 4/20 0.39
ADRA2C P18825 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ADRA2A P08913 1/20 0.38
HIF1A Q16665 1/20 0.38
CHRM2 P08172 1/20 0.35
ADRA1A P35348 1/20 0.35
RGS12 O14924 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL14677386 0.82 CACNA2D1 (0.39) CACNA2D1CACNB2CACNA1CALDH1A1KDM4E
SCHEMBL2800138 0.80 ALOX5 (0.40) CACNA2D1CACNB2CACNA1CALDH1A1LMNA
SCHEMBL11363920 0.80 CACNA2D1 (0.49) CACNA2D1CACNB2CACNA1CTSHRALDH1A1
SCHEMBL2198244 0.80 SMN1; SMN2 (0.49) CACNA2D1CACNB2CACNA1CTSHRLMNA
SCHEMBL9547891 0.79 TSHR (0.64) CACNA2D1CACNB2CACNA1CTSHRALDH1A1
SCHEMBL28686702 0.78 CACNA2D1 (0.38) CACNA2D1CACNB2CACNA1CTSHRALDH1A1
SCHEMBL2801028 0.78 CES2 (0.41) CACNA2D1CACNB2CACNA1C
SCHEMBL9130467 0.77 ALDH1A1 (0.40) CACNA2D1CACNB2CACNA1CTSHRALDH1A1
SCHEMBL2197891 0.77 ALOX5 (0.46) CACNA2D1CACNB2CACNA1CKDM4E
SCHEMBL2803495 0.76 AOC3 (0.47) TSHRMAPK1CHRM2PKMMEN1

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-117976988-A High-entropy high-voltage electrolyte and preparation process thereof 上海交通大学 2024-05-03 CN claimed
EP-0476645-B1 Calcium uptake inhibitors MERRELL DOW PHARMA (US) 1995-09-06 EP claimed
EP-0476645-A1 Calcium uptake inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1992-03-25 EP claimed
CN-117976988-A High-entropy high-voltage electrolyte and preparation process thereof 上海交通大学 2024-05-03 CN disclosed
US-11814462-B2 Functionalized cyclic polymers and methods of preparing same UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-11-14 US disclosed
CN-115073401-B 2,3 '-bisfuran compound, 2,3' -oligomeric furan compound, and preparation methods and applications thereof 华南理工大学 2023-07-14 CN disclosed
CN-115073401-A 2,3 '-difuran compound and 2,3' -oligofuran compound, and preparation method and application thereof 华南理工大学 2022-09-20 CN disclosed
US-20220127215-A1 A COPPER-CATALYZED METHOD AND APPLICATION FOR PREPARING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN AS AN OXIDANT FUDAN UNIVERSITY (CN) 2022-04-28 US disclosed
US-20220056167-A1 Functionalized Cyclic Polymers and Methods of Preparing Same NATIONAL SCIENCE FOUNDATION 2022-02-24 US disclosed
EP-3919469-A1 COPPER-CATALYZED METHOD FOR PREPARING ALDEHYDE OR KETONE COMPOUND BY OXIDIZING ALCOHOL BY USING OXYGEN AS OXIDANT, AND APPLICATION THEREOF Fudan University (CN) 2021-12-08 EP disclosed
WO-2020223672-A1 FUNCTIONALIZED CYCLIC POLYMERS AND METHODS OF PREPARING SAME UNIVERSITY OF FLORIDA RESEARCHFOUNDATION, INC. (US) 2020-11-05 WO disclosed
EP-2599765-A1 PROCESS FOR PRODUCING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN East China Normal University (CN) 2013-06-05 EP disclosed
US-20120220792-A1 PROCESS FOR PRODUCING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2012-08-30 US disclosed
US-20120220792-A1 PROCESS FOR PRODUCING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2012-08-30 US disclosed
US-7763734-B2 Synthesis, structure and use of bisoxazolidines for asymmetric catalysis and synthesis GEORGETOWN UNIVERSITY (US) 2010-07-27 US disclosed
US-20070265255-A1 SYNTHESIS, STRUCTURE AND USE OF BISOXAZOLIDINES FOR ASYMMETRIC CATALYSIS AND SYNTHESIS GEORGETOWN UNIVERSITY 2007-11-15 US disclosed
EP-0476645-B1 Calcium uptake inhibitors MERRELL DOW PHARMA (US) 1995-09-06 EP disclosed
US-5409942-A Administering 1-phenyl-3-aryl-2-propyne-1-ones compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1995-04-25 US disclosed
US-5223518-A Controlling intake in leukocytes and platelets MERRELL DOW PHARMACEUTICALS INC. (US) 1993-06-29 US disclosed
EP-0476645-A1 Calcium uptake inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1992-03-25 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 (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-20120220792-A1 PROCESS FOR PRODUCING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN ADH1C, NOX4, NOX1 CACNA2D1 3015/4885CACNB2 2346/4885CACNA1C 1375/4885
US-20220127215-A1 A COPPER-CATALYZED METHOD AND APPLICATION FOR PREPARING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN AS AN OXIDANT SOD1, ALDH2, AOC2 CACNA2D1 3327/4885CACNB2 1583/4885CACNA1C 1152/4885
US-20070265255-A1 SYNTHESIS, STRUCTURE AND USE OF BISOXAZOLIDINES FOR ASYMMETRIC CATALYSIS AND SYNTHESIS ADH5, ADH1C, ADH1A CACNA2D1 2691/4885CACNB2 3433/4885CACNA1C 3359/4885

“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.