SCHEMBL9935871

SCHEMBL9935871

CCCC[N+](C)(C)CCC[N+](C)(C)CCCC

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 10/20 0.77
HTT P42858 2/20 0.71
KMT2A Q03164 1/20 0.55
SLC22A1 O15245 1/20 0.53
HSP90AA1 P07900 2/20 0.52
RAD52 P43351 2/20 0.52
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48

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
SCHEMBL1292726 0.96 DNM1 (0.81) DNM1HTTKMT2ASLC22A1HSP90AA1
Fluoride Ion SCHEMBL26978397 0.93 DNM1 (0.77) DNM1HTTKMT2ASLC22A1HSP90AA1
Bromide SCHEMBL5091325 0.93 DNM1 (0.82) DNM1HTTKMT2ASLC22A1HSP90AA1
Iodide SCHEMBL5092215 0.93 DNM1 (0.77) DNM1HTTKMT2ASLC22A1HSP90AA1
SCHEMBL9935074 0.93 DNM1 (0.77) DNM1HTTKMT2ASLC22A1HSP90AA1
Hydrochloric Acid SCHEMBL667778 0.93 DNM1 (0.77) DNM1HTTKMT2ASLC22A1HSP90AA1
SCHEMBL10002127 0.93 DNM1 (0.88) DNM1HTTKMT2ASLC22A1HSP90AA1
Water SCHEMBL1333603 0.93 DNM1 (0.77) DNM1HTTKMT2ASLC22A1HSP90AA1
SCHEMBL33567 0.91 DNM1 (0.65) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL16132993 0.90 DNM1 (0.94) DNM1HTTKMT2ASLC22A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546609-B2 Ionic liquid containing allylsulfonate anion WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
EP-2474527-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION Wako Pure Chemical Industries, Ltd. (JP) 2012-07-11 EP disclosed
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-21 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 (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-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION ATXN2L, ARL1, INPPL1 DNM1 3583/4885HTT 3354/4885KMT2A 4633/4885

“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.