SCHEMBL9935994

SCHEMBL9935994

CCC[N+](CCC)(CCC)CCC[N+](CCC)(CCC)CCC

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 4/20 0.77
SLC22A2 O15244 1/20 0.67
ALDH1A1 P00352 1/20 0.59
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
ALOX12 P18054 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HIF1A Q16665 1/20 0.59
HSD17B10 Q99714 1/20 0.59
DNM1 Q05193 6/20 0.53

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
SCHEMBL9934659 0.92 SLC22A1 (0.91) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
SCHEMBL5294970 0.89 SLC22A1 (0.86) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
SCHEMBL12638545 0.89 SLC22A1 (0.80) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
SCHEMBL13567364 0.89 SLC22A1 (0.80) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
SCHEMBL1684241 0.89 SLC22A1 (0.86) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
SCHEMBL2870114 0.89 SLC22A1 (0.86) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
SCHEMBL2867004 0.89 SLC22A1 (0.86) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
SCHEMBL2870319 0.89 SLC22A1 (0.86) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
SCHEMBL2867501 0.89 SLC22A1 (0.86) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Tetrabuthylammonium SCHEMBL2522406 0.89 SLC22A1 (0.86) SLC22A1SLC22A2ALDH1A1TP53CYP3A4

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 SLC22A1 1635/4885SLC22A2 1792/4885ALDH1A1 3717/4885

“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.