SCHEMBL9935685

SCHEMBL9935685

C[N+]1(CCC[N+]2(C)CCOCC2)CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
CDC25A P30304 1/20 0.42
PABPC1 P11940 3/20 0.38
APOBEC3A P31941 3/20 0.37
APOBEC3G Q9HC16 3/20 0.37
GAA P10253 1/20 0.37
BBOX1 O75936 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TERT O14746 7/20 0.34
THRB P10828 1/20 0.33
USP2 O75604 1/20 0.33

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
Bromide SCHEMBL10860878 0.92 HPGD (0.52) HPGDALOX15CDC25APABPC1APOBEC3A
SCHEMBL1885098 0.92 HPGD (0.52) HPGDALOX15CDC25APABPC1APOBEC3A
SCHEMBL12638408 0.92 HPGD (0.52) HPGDALOX15CDC25APABPC1APOBEC3A
SCHEMBL12638421 0.92 HPGD (0.52) HPGDALOX15CDC25APABPC1APOBEC3A
SCHEMBL12638437 0.92 HPGD (0.52) HPGDALOX15CDC25APABPC1APOBEC3A
Water SCHEMBL22609082 0.90 HPGD (0.50) HPGDALOX15CDC25APABPC1APOBEC3A
SCHEMBL9935792 0.88 HPGD (0.47) HPGDALOX15CDC25APABPC1APOBEC3A
SCHEMBL1491002 0.87 CDC25A (0.50) HPGDALOX15CDC25APABPC1APOBEC3A
SCHEMBL7594391 0.85 HPGD (0.47) HPGDALOX15CDC25APABPC1APOBEC3A
SCHEMBL13197525 0.85 HPGD (0.47) HPGDALOX15CDC25APABPC1APOBEC3A

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 HPGD 4774/4885ALOX15 2249/4885CDC25A 2293/4885

“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.