SCHEMBL899047

SCHEMBL899047

CCOCn1cc[n+](C)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
APAF1 O14727 1/20 0.47
NPC1 O15118 1/20 0.47
PLA2G1B P04054 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
FDPS P14324 2/20 0.37
LMNA P02545 1/20 0.35
PON1 P27169 2/20 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
Hydrochloric Acid SCHEMBL6115333 0.98 SMN1; SMN2 (0.46) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Fluoride Ion SCHEMBL1892964 0.98 SMN1; SMN2 (0.46) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL17706397 0.90 SMN1; SMN2 (0.43) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL16731564 0.81 APAF1 (0.54) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL899258 0.80 SMN1; SMN2 (0.53) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Bromide SCHEMBL6116136 0.79 SMN1; SMN2 (0.56) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL17706400 0.79 SMN1; SMN2 (0.43) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL425211 0.78
SCHEMBL20527541 0.78 APAF1 (0.60) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL21821199 0.78 APAF1 (0.60) SMN1; SMN2MEN1APAF1NPC1PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921589-B2 Electrolyte formulations MERCK PATENT GMBH (DE) 2014-12-30 US claimed
EP-1960345-B1 ALKYLATION OF N' -PHENYL-N-ALKYLPHENYLENEDIAMINES IN IONIC LIQUID, AND N' -PHENYL-N-ALKYL(ALKYLPHENYLENE) DIAMINES PRODUCED THEREBY CHEMTURA CORP (US) 2014-11-19 EP claimed
US-8829201-B2 Electrolyte Formulations MERCK PATENT GMBH (DE) 2014-09-09 US claimed
US-20120318360-A1 Electrolyte Formulations MERCK PATENT GMBH (DE) 2012-12-20 US claimed
EP-1963253-B1 RING ALKYLATION OF ANILINE OR AN ANILINE DERIVATIVE USING IONIC LIQUID CATALYSTS CHEMTURA CORP (US) 2011-01-05 EP claimed
EP-1960344-B1 ALKYLATION OF A DIPHENYLAMINE COMPOUND IN IONIC LIQUID CHEMTURA CORP (US) 2010-09-29 EP claimed
US-7563929-B2 Alkylation of N′-phenyl-N-alkylphenylenediamines in ionic liquid and N′-phenyl-N-alkyl(alkylphenylene) diamines produced thereby CHEMTURA CORPORATION (US) 2009-07-21 US claimed
US-20080234517-A1 ALKYLATION OF N'-PHENYL-N-ALKYLPHENYLENEDIAMINES IN IONIC LIQUID AND N'-PHENYL-N-ALKYL(ALKYLPHENYLENE) DIAMINES PRODUCED THEREBY CHEMTURA CORPORATION (US) 2008-09-25 US claimed
EP-1963253-A2 RING ALKYLATION OF ANILINE OR AN ANILINE DERIVATIVE USING IONIC LIQUID CATALYSTS CHEMTURA CORPORATION (US) 2008-09-03 EP claimed
EP-1960345-A1 ALKYLATION OF N' -PHENYL-N-ALKYLPHENYLENEDIAMINES IN IONIC LIQUID, N' -PHENYL-N-ALKYL(ALKYLPHENYLENE) DIAMINES PRODUCED THEREBY, AND LUBRICANT COMPOSITIONS CONTAINING SAME CHEMTURA CORPORATION (US) 2008-08-27 EP claimed
EP-1960344-A1 ALKYLATION OF A DIPHENYLAMINE COMPOUND IN IONIC LIQUID CHEMTURA CORPORATION (US) 2008-08-27 EP claimed
US-7378554-B2 Ring alkylation of aniline or an aniline derivative using ionic liquid catalysts CHEMTURA CORPORATION (US) 2008-05-27 US claimed
WO-2007070264-A1 ALKYLATION OF A DIPHENYLAMINE COMPOUND IN IONIC LIQUID CHEMTURA CORPORATION (US) 2007-06-21 WO claimed
WO-2007070282-A1 ALKYLATION OF N' -PHENYL-N-ALKYLPHENYLENEDIAMINES IN IONIC LIQUID, N' -PHENYL-N-ALKYL(ALKYLPHENYLENE) DIAMINES PRODUCED THEREBY, AND LUBRICANT COMPOSITIONS CONTAINING SAME CHEMTURA CORPORATION (US) 2007-06-21 WO claimed
WO-2007070263-A2 RING ALKYLATION OF ANILINE OR AN ANILINE DERIVATIVE USING IONIC LIQUID CATALYSTS CHEMTURA CORPORATION (US) 2007-06-21 WO claimed
US-20070135657-A1 Alkylation of N'-phenyl-N-alkylphenylenediamines in ionic liquid, N'-phenyl-N-alkyl (alkylphenylene) diamines produced thereby, and lubricant compositions containing same LANXESS SOLUTIONS US INC. 2007-06-14 US claimed
US-20070135656-A1 Ring alkylation of aniline or an aniline derivative using ionic liquid catalysts LANXESS SOLUTIONS US INC. 2007-06-14 US claimed
US-7145038-B1 Alkylation of a diphenylamine compound in ionic liquid CHEMTURA CORPORATION (US) 2006-12-05 US claimed
CN-108409581-B Preparation method of dinonyl-substituted diphenylamine antioxidant 江苏飞亚化学工业有限责任公司 2020-07-14 CN disclosed
EP-1698606-A1 FLUORINATING AGENT AND METHOD FOR PRODUCING FLUORINE-CONTAINING COMPOUND USING SAME Sumitomo Chemical Company, Limited (JP) 2006-09-06 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 (3 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-20080234517-A1 ALKYLATION OF N'-PHENYL-N-ALKYLPHENYLENEDIAMINES IN IONIC LIQUID AND N'-PHENYL-N-ALKYL(ALKYLPHENYLENE) DIAMINES PRODUCED THEREBY PNMT, PNN, INMT SMN1; SMN2 1972/4885MEN1 2662/4885APAF1 1493/4885
US-20120318360-A1 Electrolyte Formulations NHERF1, HCN4, DDT SMN1; SMN2 4519/4885MEN1 1923/4885APAF1 4563/4885
US-20070135657-A1 Alkylation of N'-phenyl-N-alkylphenylenediamines in ionic liquid, N'-phenyl-N-alkyl (alkylphenylene) diamines produced thereby, and lubricant compositions containing same NAPEPLD, PNN, ACR SMN1; SMN2 2107/4885MEN1 3476/4885APAF1 1247/4885

“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.