SCHEMBL6747694

SCHEMBL6747694

CC(C)(C)c1cc([N+](=O)[O-])cc(C=O)c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
HTT P42858 2/20 0.72
GALR3 O60755 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
ERN1 O75460 8/20 0.59
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.40
GPR35 Q9HC97 2/20 0.40
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TTR P02766 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL34473937 1.00 MEN1 (0.72) MEN1KMT2AHTTGALR3SMN1; SMN2
SCHEMBL3236587 0.84 MEN1 (1.00) MEN1KMT2AHTTGALR3SMN1; SMN2
SCHEMBL12492120 0.82 ERN1 (0.69) MEN1KMT2AHTTGALR3SMN1; SMN2
SCHEMBL28075565 0.82 HTT (0.54) MEN1KMT2AHTTGALR3SMN1; SMN2
SCHEMBL2618846 0.82 MEN1 (0.54) MEN1KMT2AHTTGALR3SMN1; SMN2
SCHEMBL19130787 0.80 MEN1 (0.82) MEN1KMT2AHTTGALR3SMN1; SMN2
SCHEMBL13071682 0.78 ERN1 (0.52) MEN1KMT2AHTTGALR3SMN1; SMN2
Dinoterb SCHEMBL53794 0.78 KMT2A (0.79) MEN1KMT2AHTTGALR3SMN1; SMN2
Dinoterb SCHEMBL29487271 0.78 KMT2A (0.79) MEN1KMT2AHTTGALR3SMN1; SMN2
Dinoterb SCHEMBL8535102 0.78 KMT2A (0.79) MEN1KMT2AHTTGALR3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111646985-A Synthetic method of pyrimidine heterocyclic antitumor drug molecule AZD6738 江苏集萃分子工程研究院有限公司 2020-09-11 CN disclosed
US-9850223-B2 Metal catalysts for selective formation of cyclic carbonates, process for preparing cyclic carbonate using the same and use of cyclic carbonate KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-12-26 US disclosed
US-20170081302-A1 METAL CATALYSTS FOR SELECTIVE FORMATION OF CYCLIC CARBONATES, PROCESS FOR PREPARING CYCLIC CARBONATE USING THE SAME AND USE OF CYCLIC CARBONATE KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-03-23 US disclosed
EP-1213293-B1 Use of chiral, uncharged metal compounds as doting agents for liquid crystals BASF AG (DE) 2004-06-23 EP disclosed
US-6713435-B2 SUCH AS B-PHENYL-GAMMA-BUTYLOLACTONE VIA OXIDATION OF CYCLIC KETONE (3-PHENYLCYCLOBUTANONE) WITH HYDROGEN PEROXIDE/UREA HYDROGEN PEROXIDE IN PRESENCE OF COBALT/SALEN COMPLEX AS CATALYST KYUSHU UNIVERSITY (JP) 2004-03-30 US disclosed
US-6695977-B2 LIQUID CRYSTALLINE MIXTURE BASF AKTIENGESELLSCHAFT (DE) 2004-02-24 US disclosed
US-20030120091-A1 Method for producing optically active lactone compounds by using salen cobalt complexes having a cis-beta structure KYUSHU UNIVERSITY (JP) 2003-06-26 US disclosed
US-20030066984-A1 Use of chiral, uncharged metal compounds as dopants for liquid-crystalline materials BASF AKTIENGESELLSCHAFT (DE) 2003-04-10 US disclosed
EP-1288210-A2 A method for producing optically active lactone compounds by using salen cobalt complexes having a CIS-Beta structure KYUSHU UNIVERSITY (JP) 2003-03-05 EP disclosed
EP-1213293-A1 Use of chiral, uncharged metal compounds as doting agents for liquid crystals BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 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-20170081302-A1 METAL CATALYSTS FOR SELECTIVE FORMATION OF CYCLIC CARBONATES, PROCESS FOR PREPARING CYCLIC CARBONATE USING THE SAME AND USE OF CYCLIC CARBONATE CA2, TMCO1, CA1 MEN1 228/4885KMT2A 2662/4885HTT 4850/4885
US-20030120091-A1 Method for producing optically active lactone compounds by using salen cobalt complexes having a cis-beta structure SOD1, OAT, SOD3 MEN1 678/4885KMT2A 2629/4885HTT 291/4885

“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.