SCHEMBL9935636

SCHEMBL9935636

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

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.42
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CDC25A P30304 1/20 0.33
THRB P10828 1/20 0.30

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
SCHEMBL3308384 0.93 CTDSP1 (0.41) CTDSP1CDC25ATHRB
SCHEMBL3277115 0.93 CTDSP1 (0.46) CTDSP1CDC25A
Bromide SCHEMBL829698 0.91 CTDSP1 (0.41) CTDSP1CDC25ATHRB
SCHEMBL9936179 0.91 CDC25A (0.36) CTDSP1HPGDALOX15CDC25ATHRB
SCHEMBL9935147 0.90 CTDSP1 (0.45) CTDSP1CDC25A
SCHEMBL29975144 0.89 CDC25A (0.40) CTDSP1CDC25ATHRB
SCHEMBL1962073 0.88 CDC25A (0.37) CTDSP1HPGDALOX15CDC25ATHRB
SCHEMBL9935048 0.86 CDC25A (0.36) CTDSP1HPGDALOX15CDC25ATHRB
Hydrochloric Acid SCHEMBL6567666 0.86 CDC25A (0.36) CTDSP1HPGDALOX15CDC25ATHRB
Iodide SCHEMBL10751393 0.86 CTDSP1 (0.39) CTDSP1HPGDALOX15CDC25ATHRB

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 CTDSP1 1265/4885HPGD 4774/4885ALOX15 2249/4885

“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.