SCHEMBL1814698

SCHEMBL1814698

COC(=O)C1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL11164911 0.83 BRD4 (0.43) BRD4TP53GAACHRNB2CHRNA4
SCHEMBL1814694 0.83 BRD4 (0.39) BRD4TP53GAACHRNB2CHRNA4
SCHEMBL13760995 0.80 GAA (0.36) GAAL3MBTL1KDM4EHTTKMT2A
SCHEMBL14468161 0.79 GAA (0.35) GAAL3MBTL1KDM4EHTTKMT2A
SCHEMBL21163387 0.79 GAA (0.39) GAAL3MBTL1KDM4EHTTKMT2A
SCHEMBL12200999 0.79 GAA (0.35) GAAL3MBTL1KDM4ESMN1; SMN2HTT
SCHEMBL1813546 0.79 CYP3A4 (0.44) KMT2AALDH1A1
SCHEMBL6899604 0.78 APLNR (0.54) BRD4TP53CHRNB2CHRNA4CHRNB4
SCHEMBL1231230 0.78 GAA (0.47) BRD4TP53GAAL3MBTL1KDM4E
SCHEMBL16626789 0.77 GAA (0.34) GAAL3MBTL1KDM4EHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473795-B2 Blends of quinone alkide and nitroxyl compounds as polymerization inhibitors UNIROYAL CHEMICAL COMPANY, INC. (US) 2009-01-06 US claimed
EP-1438277-B1 RECYCLE OF NITROXYL-CONTAINING STREAMS AT LOW TEMPERATURE UNIROYAL CHEM CO INC (US) 2007-03-07 EP claimed
US-20060155140-A1 Blends of quinone alkide and nitroxyl compounds as polymerization inhibitors UNIROYAL CHEMICAL COMPANY, INC A CORPORATION OF THE STATE OF DELAWARE 2006-07-13 US claimed
US-7045647-B2 Blends of quinone alkide and nitroxyl compounds and polymerization inhibitors UNIROYAL CHEMICAL COMPANY, INC. (US) 2006-05-16 US claimed
US-20050113625-A1 Composition and method for inhibiting polymerization and polymer growth UNIROYAL CHEMICAL COMPANY, INC. 2005-05-26 US claimed
US-20050113626-A1 Composition and method for inhibiting polymerization and polymer growth UNIROYAL CHEMICAL COMPANY, INC., A CORPORATION OF THE STATE OF DELAWARE 2005-05-26 US claimed
US-20040010159-A1 Blends of quinone alkide and nitroxyl compounds and polymerization inhibitors ADDIVANT USA, LLC 2004-01-15 US claimed
US-20020123658-A1 Recycle of nitroxyl-containing streams at low temperature CROMPTON CORPORATION 2002-09-05 US claimed
EP-1235885-A1 COMPOSITION AND METHOD FOR INHIBITING POLYMERIZATION AND POLYMER GROWTH Uniroyal Chemical Company, Inc. (US) 2002-09-04 EP claimed
WO-2001040404-A1 COMPOSITION AND METHOD FOR INHIBITING POLYMERIZATION AND POLYMER GROWTH UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-06-07 WO claimed
US-20180187010-A1 SILICON-CONTAINING RESIN COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2018-07-05 US disclosed
US-9609747-B2 Wiring board FUJIFILM CORPORATION (JP) 2017-03-28 US disclosed
US-20160087208-A1 COMPOSITION FOR FORMING GATE INSULATING FILM, ORGANIC THIN FILM TRANSISTOR, ELECTRONIC PAPER, AND DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2016-03-24 US disclosed
US-20160071624-A1 ORGANIC SEMICONDUCTOR COMPOSITION, ORGANIC THIN-FILM TRANSISTOR, ELECTRONIC PAPER, AND DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2016-03-10 US disclosed
EP-2981560-A1 CURING OF LIQUID THERMOSETTING RESINS Reichhold, Inc. (US) 2016-02-10 EP disclosed
US-6403850-B1 MIXTURE OF STABLE, HINDERED NITROXYL RADICAL (SUCH AS 4-AMINO-2,2,6,6-TETRAMETHYLPIPERIDINYLOXY), PHENYLENEDIAMINE, AND NITROAROMATIC COMPOUNDS; SYNERGISTIC EFFECT; AEROBIC AND ANAEROBIC CONDITIONS UNIROYAL CHEMICAL COMPANY, INC. 2002-06-11 US disclosed
US-20020037958-A1 Inhibition of polymerization of unsaturated monomers ADDIVANT USA, LLC 2002-03-28 US disclosed
US-6344560-B1 SOLUBILITY OF NITROXYL IN AROMATIC SOLVENT AND NITROAROMATIC COMPOUND UNIROYAL CHEMICAL COMPANY, INC. 2002-02-05 US disclosed
WO-2001083567-A2 NITROAROMATIC SOLUBILIZER FOR NITROXYLS IN AROMATIC SOLVENTS UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-11-08 WO disclosed
WO-2001053235-A1 INHIBITION OF POLYMERIZATION OF UNSATURATED MONOMERS UNIROYAL CHEMICAL COMPANY, INC. (US) 2001-07-26 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 (6 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-20050113625-A1 Composition and method for inhibiting polymerization and polymer growth ELL, ELOVL1, ELOVL5 BRD4 2852/4885TP53 3859/4885GAA 3406/4885
US-20180187010-A1 SILICON-CONTAINING RESIN COMPOSITION CROCC, SRI, SEM1 BRD4 3728/4885TP53 3476/4885GAA 1840/4885
US-20050113626-A1 Composition and method for inhibiting polymerization and polymer growth ELL, ELOVL1, ELOVL5 BRD4 2852/4885TP53 3859/4885GAA 3406/4885
US-20060155140-A1 Blends of quinone alkide and nitroxyl compounds as polymerization inhibitors SQOR, NQO1, NQO2 BRD4 993/4885TP53 3962/4885GAA 2221/4885
US-20020123658-A1 Recycle of nitroxyl-containing streams at low temperature NQO2, NOS2, NOS1 BRD4 1911/4885TP53 3902/4885GAA 2720/4885
US-20040010159-A1 Blends of quinone alkide and nitroxyl compounds and polymerization inhibitors SQOR, NQO1, NQO2 BRD4 732/4885TP53 3975/4885GAA 2247/4885

“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.