SCHEMBL8034932

SCHEMBL8034932

N#CCCO[PH](=O)OCCC#N

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LOX P28300 1/20 0.30
LOXL3 P58215 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL29285235 0.89 MEN1 (0.33) TSHR
SCHEMBL21902646 0.85 TSHR (0.44) ALDH1A1CYP3A4TSHR
SCHEMBL11388050 0.84 TSHR (0.36) ALDH1A1TDP1TSHR
SCHEMBL13625441 0.83 ALDH1A1 (0.37) ALDH1A1
SCHEMBL26212788 0.83 TSHR (0.30) TSHR
SCHEMBL11363024 0.82 TSHR (0.35) ALDH1A1TDP1TSHR
SCHEMBL4608718 0.82 TSHR (0.35) ALDH1A1TDP1TSHR
SCHEMBL26001122 0.80
SCHEMBL22036458 0.79
SCHEMBL21886211 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023082869-A1 SECONDARY BATTERY, METHOD FOR PREPARING SECONDARY BATTERY, BATTERY MODULE, BATTERY PACK, AND POWER CONSUMPTION APPARATUS 宁德时代新能源科技股份有限公司 2023-05-19 WO claimed
CN-116111178-A Secondary battery, method for manufacturing secondary battery, battery module, battery pack, and electricity using device 宁德时代新能源科技股份有限公司 2023-05-12 CN claimed
EP-3775957-A1 MATERIALS WITH HIGH DIELECTRIC CONSTANT FOR MAGNETIC RESONANCE IMAGING INSTRUMENTS Centre National de la Recherche Scientifique - CNRS (FR) 2021-02-17 EP claimed
US-9090539-B2 Compounds and methods for preparing substituted 3-(1-amino-2-methylpentane-3-yl)phenyl compounds AMPAC FINE CHEMICALS LLC (US) 2015-07-28 US claimed
CN-111971803-B Polymerizable self-assembling monomers for atomic layer deposition 国际商业机器公司 2024-06-21 CN disclosed
EP-3334745-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2024-05-15 EP disclosed
US-11692079-B2 2-dimensional MXene particle surface-modified with functional group containing saturated or unsaturated hydrocarbon, preparation method thereof and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-07-04 US disclosed
WO-2023082869-A1 SECONDARY BATTERY, METHOD FOR PREPARING SECONDARY BATTERY, BATTERY MODULE, BATTERY PACK, AND POWER CONSUMPTION APPARATUS 宁德时代新能源科技股份有限公司 2023-05-19 WO disclosed
CN-116111178-A Secondary battery, method for manufacturing secondary battery, battery module, battery pack, and electricity using device 宁德时代新能源科技股份有限公司 2023-05-12 CN disclosed
CN-116111178-A Secondary battery, method for manufacturing secondary battery, battery module, battery pack, and electricity using device 宁德时代新能源科技股份有限公司 2023-05-12 CN disclosed
US-11505571-B2 Compounds and compositions for treating conditions associated with sting activity INNATE TUMOR IMMUNITY, INC. (US) 2022-11-22 US disclosed
CN-114380727-A Preparation method of 2- [1- (ethylsulfonyl) -3-azetidine ] acetonitrile 南京焕然生物科技有限公司 2022-04-22 CN disclosed
US-20130040209-A1 NONAQUEOUS ELECTROLYTE SOLUTION CONTAINING CYCLIC SULFONE COMPOUND, AND LITHIUM SECONDARY BATTERY MITSUI CHEMICALS, INC. (JP) 2013-02-14 US disclosed
CN-102870268-A Nonaqueous electrolyte solution containing cyclic sulfone compound, and lithium secondary battery MITSUI CHEMICALS INC 2013-01-09 CN disclosed
CN-101654279-B Amphiphilic Dispersible Nano Titanium Dioxide Material IND TECH RES INST 2012-03-21 CN disclosed
CN-101654279-A Amphiphilic Dispersible Nano Titanium Dioxide Material IND TECH RES INST 2010-02-24 CN disclosed
EP-0745586-B1 Aryl(alkyl) propylamides, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-03-08 EP disclosed
EP-0745586-A1 Aryl(alkyl) propylamides, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-12-04 EP disclosed
US-5268464-A Process for the preparation of nucleosides CIBA-GEIGY CORPORATION (US) 1993-12-07 US disclosed
US-4431576-A COSMETICS; TOILETRIES; DETERGENTS; INSECTICIDES; WAXES ROUSSEL UCLAF (FR) 1984-02-14 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 (2 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-11505571-B2 Compounds and compositions for treating conditions associated with sting activity STING1, CGAS, IRF3 ALDH1A1 4624/4885TDP1 83/4885LOX 1256/4885
US-20130040209-A1 NONAQUEOUS ELECTROLYTE SOLUTION CONTAINING CYCLIC SULFONE COMPOUND, AND LITHIUM SECONDARY BATTERY TST, SULT1E1, STS ALDH1A1 932/4885TDP1 2542/4885LOX 3151/4885

“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.