SCHEMBL9936116

SCHEMBL9936116

C=CCS(=O)(=O)[O-].C=CCS(=O)(=O)[O-].Cc1cc(C)c[n+](CCCC[n+]2cc(C)cc(C)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ACHE P22303 1/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.31
THRB P10828 2/20 0.31
RECQL P46063 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL9934636 0.97 ACHE (0.34) KDM4EACHEMAPTALDH1A1THRB
SCHEMBL9935131 0.88 C5AR1 (0.30)
SCHEMBL9925975 0.76 HTT (0.48) HTTKDM4EACHEMAPTMEN1
SCHEMBL9936107 0.75 LMNA (0.40) KDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL9936070 0.75 BCHE (0.48) ACHE
Water SCHEMBL31247994 0.74 HTT (0.46) HTTKDM4EACHEMAPTMEN1
SCHEMBL9160448 0.74 HTT (0.52) HTTKDM4EACHEMAPTMEN1
SCHEMBL9162381 0.74 HTT (0.52) HTTKDM4EACHEMAPTMEN1
SCHEMBL30875788 0.74 HTT (0.46) HTTKDM4EACHEMAPTMEN1
SCHEMBL4403547 0.74 HTT (0.52) HTTKDM4EACHEMAPTMEN1

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 HTT 3354/4885KDM4E 4681/4885ACHE 4640/4885

“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.