SCHEMBL13596176

SCHEMBL13596176

CC1=CC(C)(C)N(O)C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 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
Diethylamine SCHEMBL4555190 0.85 TP53 (0.31)
SCHEMBL13227497 0.74
SCHEMBL1812456 0.72
SCHEMBL12729664 0.70
SCHEMBL24521370 0.69
SCHEMBL18462081 0.69
SCHEMBL20464763 0.69 GAA (0.32) GAA
SCHEMBL14564582 0.68 LMNA (0.45) ALDH1A1GAA
Hydrochloric Acid SCHEMBL4555321 0.67
SCHEMBL531292 0.67 CCR2 (0.30)

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4016663-B1 ELECTRODE MATERIAL FOR THE PRINTING OF POLYMER BATTERIES INNOVATIONLAB GMBH (DE) 2023-10-11 EP disclosed
WO-2019007989-A9 DINITROXIDE BIRADICAL COMPOUNDS AS POLARIZING AGENTS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2019-12-26 WO disclosed
WO-2019007989-A1 DINITROXIDE BIRADICAL COMPOUNDS AS POLARIZING AGENTS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2019-01-10 WO disclosed
EP-3424921-A1 DINITROXIDE BIRADICAL COMPOUNDS AS POLARIZING AGENTS Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2019-01-09 EP disclosed
US-20170029377-A1 SITE-SPECIFIC DYNAMIC NUCLEAR POLARIZATION NMR AGENTS UNITED STATES DEPARTMENT OF ENERGY 2017-02-02 US disclosed
EP-2894476-A1 Genetically Encoded Spin Label Universität Konstanz (DE) 2015-07-15 EP disclosed
EP-2620429-A1 Hydroxylamine compounds and methods of their use Colby Pharmaceutical Company (US) 2013-07-31 EP disclosed
US-20120316203-A1 Compositions and Methods for Inhibition of Cancers THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-12-13 US disclosed
US-20090318667-A1 Peptoid compositions and methods of using the same NEW YORK UNIVERSITY 2009-12-24 US disclosed
WO-2009139922-A2 PEPTOID COMPOSITIONS AND METHODS OF USING THE SAME NEW YORK UNIVERSITY SCHOOL OF MEDICINE (US) 2009-11-19 WO disclosed
US-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE COLBY PHARMACEUTICAL COMPANY 2008-11-13 US disclosed
US-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE COLBY PHARMACEUTICAL COMPANY 2008-11-13 US disclosed
WO-2008103613-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE OTHERA HOLDING, INC. (US) 2008-08-28 WO disclosed
WO-2008101195-A2 DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE OTHERA HOLDING, INC. (US) 2008-08-21 WO disclosed
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease COLBY PHARMACEUTICAL COMPANY 2008-08-21 US disclosed
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease COLBY PHARMACEUTICAL COMPANY 2008-08-21 US disclosed
US-20070231744-A1 Holographic recording medium KABUSHIKI KAISHA TOSHIBA (JP) 2007-10-04 US disclosed
US-20070072912-A1 Alicyclic-amine-substituted 4-carboxamido-benzimidazoles as parp-inhibitors and antioxidants CEDARS-SINAI MEDICAL CENTER (US) 2007-03-29 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 (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-20120316203-A1 Compositions and Methods for Inhibition of Cancers HCCS, GPX4, HMOX1 KDM4E 1041/4885ALDH1A1 361/4885GAA 4775/4885
US-20070072912-A1 Alicyclic-amine-substituted 4-carboxamido-benzimidazoles as parp-inhibitors and antioxidants PARP1, PARP2, PARP11 KDM4E 616/4885ALDH1A1 57/4885GAA 2359/4885
US-20170029377-A1 SITE-SPECIFIC DYNAMIC NUCLEAR POLARIZATION NMR AGENTS ADAR, HNRNPR, ANP32A KDM4E 3842/4885ALDH1A1 4830/4885GAA 3999/4885
US-20090318667-A1 Peptoid compositions and methods of using the same PEPD, NGLY1, ANPEP KDM4E 4041/4885ALDH1A1 4437/4885GAA 516/4885
US-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE HDGF, HMOX1, HMOX2 KDM4E 4017/4885ALDH1A1 161/4885GAA 3200/4885
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease VHL, ABCC1, SLC11A2 KDM4E 1383/4885ALDH1A1 92/4885GAA 1386/4885

“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.