SCHEMBL9935259

SCHEMBL9935259

C=C(C)CS(=O)(=O)[O-].CCCC[n+]1ccn(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.34
ALDH1A1 P00352 5/20 0.34
KMT2A Q03164 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 3/20 0.34
HSP90AA1 P07900 1/20 0.34
RXFP1 Q9HBX9 2/20 0.34
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
BLM P54132 1/20 0.34
MAPT P10636 4/20 0.32
HTT P42858 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PABPC1 P11940 1/20 0.32
POLB P06746 1/20 0.31
GLA P06280 1/20 0.31
PKM P14618 1/20 0.31
APAF1 O14727 2/20 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
SCHEMBL9935504 0.86
SCHEMBL28652452 0.86 KDM4E (0.37) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
Sulfuric Acid SCHEMBL582397 0.84 SMN1; SMN2 (0.36) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
Sulfuric Acid SCHEMBL28449062 0.84 KDM4E (0.37) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
Sulfuric Acid SCHEMBL28980889 0.84 KDM4E (0.37) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
Sulfuric Acid SCHEMBL4245147 0.84 KDM4E (0.37) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL28574007 0.83 SMN1; SMN2 (0.40) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL193628 0.83 KDM4E (0.37) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
Sulfuric Acid SCHEMBL316621 0.83 KDM4E (0.37) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
Sulfuric Acid SCHEMBL28084954 0.82 KDM4E (0.35) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1

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 KDM4E 4681/4885ALDH1A1 3717/4885KMT2A 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.