SCHEMBL9935909

SCHEMBL9935909

C=CCS(=O)(=O)[O-].C=CCS(=O)(=O)[O-].CCCC[N+](CCCC)(CCCC)C[N+](CCCC)(CCCC)CCCC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.38
SLC22A2 O15244 1/20 0.33
BBOX1 O75936 2/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GRK2 P25098 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
Tetrabuthylammonium SCHEMBL9935681 0.93 SLC22A1 (0.46) SLC22A1SLC22A2BBOX1ALDH1A1TSHR
SCHEMBL9934679 0.89 DNM1 (0.42) SLC22A1SLC22A2BBOX1ALDH1A1TSHR
SCHEMBL9935787 0.89 SLC22A1 (0.38) SLC22A1SLC22A2BBOX1ALDH1A1TSHR
Tributylmethylammonium SCHEMBL9936098 0.84 BBOX1 (0.36) SLC22A1BBOX1ALDH1A1TSHRMEN1
SCHEMBL17967740 0.81 SLC22A1 (0.42) SLC22A1SLC22A2ALDH1A1TSHRTP53
SCHEMBL9935604 0.81 BBOX1 (0.31) BBOX1
SCHEMBL9935055 0.77 DNM1 (0.52) BBOX1TSHRSMN1; SMN2HSD17B10MEN1
SCHEMBL9934336 0.77 DNM1 (0.52) BBOX1TSHRSMN1; SMN2HSD17B10MEN1
Tetrylammonium SCHEMBL9517151 0.77 TSHR (0.36) BBOX1TSHR
Tetrabuthylammonium SCHEMBL795552 0.75 SLC22A1 (0.52) SLC22A1SLC22A2ALDH1A1TSHRTP53

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 1792/4885BBOX1 4837/4885

“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.