SCHEMBL9935238

SCHEMBL9935238

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL1962073 0.91 CDC25A (0.37) CDC25ACTDSP1THRBLMNATSHR
Hydrochloric Acid SCHEMBL6567666 0.88 CDC25A (0.36) CDC25ACTDSP1THRBLMNATSHR
Water SCHEMBL11593967 0.88 CDC25A (0.36) CDC25ACTDSP1THRBLMNATSHR
SCHEMBL9936179 0.88 CDC25A (0.36) CDC25ACTDSP1THRBLMNATSHR
SCHEMBL9935048 0.88 CDC25A (0.36) CDC25ACTDSP1THRBLMNATSHR
Iodide SCHEMBL10751393 0.88 CTDSP1 (0.39) CDC25ACTDSP1THRBLMNATSHR
SCHEMBL3308384 0.86 CTDSP1 (0.41) CDC25ACTDSP1THRBLMNATSHR
SCHEMBL2859463 0.86 CDC25A (0.35) CDC25ACTDSP1LMNATSHR
SCHEMBL12638482 0.86 CDC25A (0.38) CDC25ACTDSP1THRBLMNATSHR
SCHEMBL9935118 0.86 CTDSP1 (0.44) CDC25ACTDSP1

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 CDC25A 2293/4885CTDSP1 1265/4885THRB 2408/4885

“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.