SCHEMBL1802879

SCHEMBL1802879

O=C1CC2(CCOCC2)NC2(CCOCC2)C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL31267818 0.82
SCHEMBL1803215 0.76 GAA (0.35) GAAL3MBTL1
SCHEMBL13414719 0.75 MEN1 (0.33)
SCHEMBL1803997 0.75 ALDH1A1 (0.37)
SCHEMBL16268838 0.74 GAA (0.33) GAA
SCHEMBL3376973 0.73 GAA (0.39) GAAKDM4EL3MBTL1
SCHEMBL2558905 0.72 ESR2 (0.35) GAAKDM4EL3MBTL1
SCHEMBL13414708 0.71 CYP1A2 (0.31)
SCHEMBL31267848 0.67 SMN1; SMN2 (0.41)
SCHEMBL16161501 0.65 KDM4E (0.34) KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2984084-B1 HIGHLY EFFICIENT POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION BRUKER FRANCE S A S (FR) 2022-05-04 EP disclosed
EP-2984084-B1 HIGHLY EFFICIENT POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION BRUKER FRANCE S A S (FR) 2022-05-04 EP disclosed
US-9738657-B2 Highly efficient polarizing agents for dynamic nuclear polarization Bruker BioSpin S.A.S. (FR) 2017-08-22 US disclosed
US-9738657-B2 Highly efficient polarizing agents for dynamic nuclear polarization Bruker BioSpin S.A.S. (FR) 2017-08-22 US disclosed
US-9738657-B2 Highly efficient polarizing agents for dynamic nuclear polarization Bruker BioSpin S.A.S. (FR) 2017-08-22 US disclosed
US-20160046643-A1 HIGHLY EFFICIENT POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION Bruker BioSpin S.A.S. (FR) 2016-02-18 US disclosed
US-20160046643-A1 HIGHLY EFFICIENT POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION Bruker BioSpin S.A.S. (FR) 2016-02-18 US disclosed
US-20160046643-A1 HIGHLY EFFICIENT POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION Bruker BioSpin S.A.S. (FR) 2016-02-18 US disclosed
EP-2984084-A1 HIGHLY EFFICIENT POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION Bruker Biospin (SAS) (FR) 2016-02-17 EP disclosed
WO-2014167121-A1 HIGHLY EFFICIENT POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION Bruker BioSpin S.A.S. (FR) 2014-10-16 WO disclosed
WO-2014167121-A1 HIGHLY EFFICIENT POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION Bruker BioSpin S.A.S. (FR) 2014-10-16 WO disclosed
EP-2789609-A1 Highly efficient polarizing agents for dynamic nuclear polarization Bruker Biospin (SAS) (FR) 2014-10-15 EP disclosed
EP-2789609-A1 Highly efficient polarizing agents for dynamic nuclear polarization Bruker Biospin (SAS) (FR) 2014-10-15 EP disclosed
US-8513417-B2 Method for synthesis of nitroxyl radical KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2013-08-20 US disclosed
US-8513417-B2 Method for synthesis of nitroxyl radical KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2013-08-20 US disclosed
WO-2011052759-A1 NOVEL NITROXYL RADICAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF 国立大学法人九州大学 (JP) 2011-05-05 WO disclosed
US-20100076190-A1 METHOD FOR SYNTHESIS OF NITROXYL RADICAL KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2010-03-25 US disclosed
US-20100076190-A1 METHOD FOR SYNTHESIS OF NITROXYL RADICAL KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2010-03-25 US disclosed
EP-2128135-A1 METHOD FOR SYNTHESIS OF NITROXYL RADICAL Kyushu University, National University Corporation (JP) 2009-12-02 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 (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-20100076190-A1 METHOD FOR SYNTHESIS OF NITROXYL RADICAL NOX4, TXN2, TXNRD2 GAA 3773/4885KDM4E 984/4885L3MBTL1 2372/4885
US-20160046643-A1 HIGHLY EFFICIENT POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION NR2E3, NR2E1, NR4A2 GAA 4704/4885KDM4E 3144/4885L3MBTL1 4459/4885

“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.