SCHEMBL2163885

SCHEMBL2163885

CC1(C)CC(NCC(O)COC2CC(C)(C)N([O])C(C)(C)C2)CC(C)(C)N1[O]

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
MAOB P27338 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
SCHEMBL4387071 0.87 MEN1 (0.33) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL5405785 0.79 TOP2A (0.31) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL15468284 0.73 HTT (0.31) HTTSMN1; SMN2KDM4E
SCHEMBL13202049 0.70 MEN1 (0.33) MEN1KMT2AHTTKDM4E
SCHEMBL13202053 0.70 MEN1 (0.33) MEN1KMT2AHTTKDM4E
SCHEMBL7634030 0.67 MAOB (0.35) MAOB
SCHEMBL1150230 0.67 ALDH1A1 (0.31) SMN1; SMN2ALDH1A1
SCHEMBL16623951 0.67 TSHR (0.39) MEN1KMT2AHTTKDM4EPOLB
SCHEMBL16623950 0.67 TSHR (0.39) MEN1KMT2AHTTKDM4EPOLB
SCHEMBL25184322 0.66

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
US-7985594-B2 Biradical polarizing agents for dynamic nuclear polarization MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-07-26 US claimed
US-20090311189-A1 TEMPERATURE-JUMP DYNAMIC NUCLEAR POLARIZATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-12-17 US claimed
US-20090302842-A1 BIRADICAL POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION MASSACHUSETTS INSTITUTE OF TECNOLOGY (US) 2009-12-10 US claimed
EP-2018545-A2 BIRADICAL POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-01-28 EP claimed
WO-2008048714-A2 BIRADICAL POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-04-24 WO claimed
WO-2007134160-A2 TEMPERATURE-JUMP DYNAMIC NUCLEAR POLARIZATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-11-22 WO claimed
US-9035054-B2 Dinitroxide-type biradical compounds optimized for dynamic nuclear polarization (DNP) UNIVERSITE D'AIX-MARSEILLE (FR) 2015-05-19 US disclosed
US-20140231775-A1 DENDRIMER COMPOUND AND ORGANIC LUMINESCENT DEVICE EMPLOYING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-21 US disclosed
US-20140186969-A1 DINITROXIDE-TYPE BIRADICAL COMPOUNDS OPTIMIZED FOR DYNAMIC NUCLEAR POLARIZATION (DNP) UNIVERSITE D'AIX-MARSEILLE (FR) 2014-07-03 US disclosed
US-8648193-B2 Dinitroxide-type biradical compounds optimized for dynamic nuclear polarization (DNP) UNIVERSITE D'AIX MARSEILLE (FR) 2014-02-11 US disclosed
EP-2411390-B1 DINITROXIDE BIRADICAL COMPOUNDS OPTIMIZED FOR DYNAMIC NUCLEAR POLARIZATION (DNP) UNIV AIX MARSEILLE (FR) 2014-01-29 EP disclosed
US-20130335079-A1 NUCLEAR MAGNETIC RESONANCE PROBE HEAD AND METHOD WITH MULTI-FUNCTIONAL SAMPLE ROTATION SAMOSON AGO (EE) 2013-12-19 US disclosed
US-7985594-B2 Biradical polarizing agents for dynamic nuclear polarization MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-07-26 US disclosed
US-20100249386-A1 DINITROXIDE-TYPE BIRADICAL COMPOUNDS OPTIMIZED FOR DYNAMIC NUCLEAR POLARIZATION (DNP) UNIVERSITE DE PROVENCE (FR) 2010-09-30 US disclosed
US-20090311189-A1 TEMPERATURE-JUMP DYNAMIC NUCLEAR POLARIZATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-12-17 US disclosed
US-20090302842-A1 BIRADICAL POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION MASSACHUSETTS INSTITUTE OF TECNOLOGY (US) 2009-12-10 US disclosed
EP-2018545-A2 BIRADICAL POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-01-28 EP disclosed
WO-2008048714-A2 BIRADICAL POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-04-24 WO disclosed
WO-2007134160-A2 TEMPERATURE-JUMP DYNAMIC NUCLEAR POLARIZATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-11-22 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 (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-20090302842-A1 BIRADICAL POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION NUMA1, KPNA2, MEN1 MEN1 3/4885KMT2A 2365/4885HTT 2911/4885
US-20100249386-A1 DINITROXIDE-TYPE BIRADICAL COMPOUNDS OPTIMIZED FOR DYNAMIC NUCLEAR POLARIZATION (DNP) NME4, NDC1, MT-ND4L MEN1 982/4885KMT2A 2309/4885HTT 1938/4885

“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.