SCHEMBL10058656

SCHEMBL10058656

CCCCn1cc[n+](Cc2cc(C[n+]3ccn(CCCC)c3)cc(C[n+]3ccn(CCCC)c3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PON1 P27169 2/20 0.50
MEN1 O00255 2/20 0.48
HSP90AA1 P07900 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
FDPS P14324 15/20 0.46
APAF1 O14727 1/20 0.45
NPC1 O15118 1/20 0.45
PLA2G1B P04054 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45

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
SCHEMBL12746450 0.91 PON1 (0.52) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1466861 0.89 PON1 (0.54) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL10058707 0.86 PON1 (0.54) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL21131967 0.85 MEN1 (0.46) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL5304277 0.85 PON1 (0.56) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL23698409 0.84 PON1 (0.58) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
Bromide SCHEMBL15819609 0.84 PON1 (0.55) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL10058658 0.81 PON1 (0.52) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL5048639 0.81 PON1 (0.52) PON1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL28223513 0.81 PON1 (0.52) PON1MEN1HSP90AA1KMT2ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481722-B2 High stability polyionic liquid salts SIGMA-ALDRICH CO. LLC (US) 2013-07-09 US disclosed
US-20120083603-A1 HIGH STABILITY POLYIONIC LIQUID SALTS SIGMA-ALDRICH CO. LLC (US) 2012-04-05 US disclosed
US-8097721-B2 polycationic or polyanionic molecules; use as stationary phases in gas chromatography, and as a reagent in electrospray ionization-mass spectrometry (ESI-MS); thermal stability; tris(anion) such as tris(sulfonate) or tris(cation) groups such as imidazolium, pyrrolidinium, ammonium SIGMA-ALDRICH CO. LLC (US) 2012-01-17 US disclosed
US-8097721-B2 polycationic or polyanionic molecules; use as stationary phases in gas chromatography, and as a reagent in electrospray ionization-mass spectrometry (ESI-MS); thermal stability; tris(anion) such as tris(sulfonate) or tris(cation) groups such as imidazolium, pyrrolidinium, ammonium SIGMA-ALDRICH CO. LLC (US) 2012-01-17 US disclosed
US-20080210858-A1 High Stability Polyionic Liquid Salts SIGMA-ALDRICH CO. NEWCO INC. 2008-09-04 US disclosed
US-20080210858-A1 High Stability Polyionic Liquid Salts SIGMA-ALDRICH CO. NEWCO INC. 2008-09-04 US 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-20080210858-A1 High Stability Polyionic Liquid Salts PUF60, POLI, PARG PON1 4459/4885MEN1 2948/4885HSP90AA1 2356/4885
US-20120083603-A1 HIGH STABILITY POLYIONIC LIQUID SALTS PUF60, POLI, PARG PON1 4459/4885MEN1 2948/4885HSP90AA1 2356/4885

“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.