SCHEMBL1680333

SCHEMBL1680333

C=CCn1cc[n+](CCCCC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABCB11 O95342 1/20 0.39
ESR1 P03372 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
ACHE P22303 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
PDE4A P27815 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 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
SCHEMBL4358559 0.98 MEN1 (0.42) MEN1HSP90AA1KMT2ASMN1; SMN2ABCB11
SCHEMBL2693562 0.98 MEN1 (0.42) MEN1HSP90AA1KMT2ASMN1; SMN2ABCB11
Bromide SCHEMBL4364809 0.98 MEN1 (0.42) MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL3398646 0.98 MEN1 (0.42) MEN1HSP90AA1KMT2ASMN1; SMN2ABCB11
SCHEMBL15901858 0.98 MEN1 (0.42) MEN1HSP90AA1KMT2ASMN1; SMN2ABCB11
SCHEMBL23698403 0.98 MEN1 (0.42) MEN1HSP90AA1KMT2ASMN1; SMN2ABCB11
Bromide SCHEMBL4362535 0.97 HSP90AA1 (0.44) MEN1HSP90AA1KMT2ASMN1; SMN2CHRM2
Iodide SCHEMBL2894605 0.97 SMN1; SMN2 (0.42) MEN1HSP90AA1KMT2ASMN1; SMN2ABCB11
Hydrochloric Acid SCHEMBL2900812 0.97 MEN1 (0.43) MEN1HSP90AA1KMT2ASMN1; SMN2ABCB11
Bromide SCHEMBL29770293 0.97 HSP90AA1 (0.44) MEN1HSP90AA1KMT2ASMN1; SMN2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117866290-A Antistatic agent based on ionic compound exchange reaction and preparation method thereof 浙江东吴新材料股份有限公司 2024-04-12 CN claimed
US-9018777-B2 Light-emitting-element encapsulating composition, light-emitting diode and liquid crystal display device LG CHEM, LTD. (KR) 2015-04-28 US claimed
US-20140185274-A1 LIGHT-EMITTING-ELEMENT ENCAPSULATING COMPOSITION, LIGHT-EMITTING DIODE AND LIQUID CRYSTAL DISPLAY DEVICE LG CHEM, LTD. (KR) 2014-07-03 US claimed
US-8716395-B2 Light-emitting-element encapsulating composition, light-emitting diode and liquid-crystal display device LG CHEM, LTD. (KR) 2014-05-06 US claimed
US-20120168781-A1 LIGHT-EMITTING-ELEMENT ENCAPSULATING COMPOSITION, LIGHT-EMITTING DIODE AND LIQUID-CRYSTAL DISPLAY DEVICE LG CHEM LTD. (KR) 2012-07-05 US claimed
EP-2458594-A2 LIGHT-EMITTING-ELEMENT ENCAPSULATING COMPOSITION, LIGHT-EMITTING DIODE AND LIQUID-CRYSTAL DISPLAY DEVICE LG Chem, Ltd. (KR) 2012-05-30 EP claimed
EP-2458594-B1 LIGHT-EMITTING-ELEMENT ENCAPSULATING COMPOSITION, LIGHT-EMITTING DIODE AND LIQUID-CRYSTAL DISPLAY DEVICE LG CHEMICAL LTD (KR) 2018-01-10 EP disclosed
US-20160181664-A1 ELECTROLYTE FOR SODIUM ION SECONDARY BATTERY TOYO GOSEI CO., LTD. (JP) 2016-06-23 US disclosed
US-9018777-B2 Light-emitting-element encapsulating composition, light-emitting diode and liquid crystal display device LG CHEM, LTD. (KR) 2015-04-28 US disclosed
US-20140185274-A1 LIGHT-EMITTING-ELEMENT ENCAPSULATING COMPOSITION, LIGHT-EMITTING DIODE AND LIQUID CRYSTAL DISPLAY DEVICE LG CHEM, LTD. (KR) 2014-07-03 US disclosed
EP-1721900-B1 NOVEL IMIDAZOLIUM COMPOUND KANTO KAGAKU (JP) 2014-06-11 EP disclosed
US-8716395-B2 Light-emitting-element encapsulating composition, light-emitting diode and liquid-crystal display device LG CHEM, LTD. (KR) 2014-05-06 US disclosed
US-20120168781-A1 LIGHT-EMITTING-ELEMENT ENCAPSULATING COMPOSITION, LIGHT-EMITTING DIODE AND LIQUID-CRYSTAL DISPLAY DEVICE LG CHEM LTD. (KR) 2012-07-05 US disclosed
EP-2159242-A1 SEALING AGENT FOR OPTICAL SEMICONDUCTOR ELEMENT, AND OPTICAL SEMICONDUCTOR ELEMENT Sekisui Chemical Co., Ltd. (JP) 2010-03-03 EP disclosed
US-7517999-B2 needs no complicated operations for dissolution and has excellent handleability and a high ionic conductivity, electrolytes; 1-butyl-3-allylimidazolium bromide KANTO KAGAKU KABUSHIKI KAISHA (JP) 2009-04-14 US disclosed
US-20090021558-A1 Liquid discharge apparatus and method for producing liquid discharge apparatus BROTHER KOGYO KABUSHIKI KAISHA 2009-01-22 US disclosed
US-20090020327-A1 Wiring unit, method for producing wiring unit, liquid jetting apparatus, and method for producing liquid jetting apparatus BROTHER KOGYO KABUSHIKI KAISHA 2009-01-22 US disclosed
US-20070191612-A1 Needs no complicated operations for dissolution and has excellent handleability and a high ionic conductivity, electrolytes; 1-butyl-3-allylimidazolium bromide HIROYUKI OHNO (JP) 2007-08-16 US disclosed
EP-1721900-A1 NOVEL IMIDAZOLIUM COMPOUND Kanto Kagaku Kabushiki Kaisha (JP) 2006-11-15 EP disclosed
WO-2003091222-A1 PROCESS FOR PRODUCING N-ALKYL-N'-ALKYLIMIDAZOLIUM SALT KURARAY CO.,LTD. (JP) 2003-11-06 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 (1 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-20070191612-A1 Needs no complicated operations for dissolution and has excellent handleability and a high ionic conductivity, electrolytes; 1-butyl-3-allylimidazolium bromide SLC26A3, KCNJ11, SLC26A4 MEN1 636/4885HSP90AA1 3528/4885KMT2A 4733/4885

“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.