SCHEMBL1467289

SCHEMBL1467289

CCCCCCCC[N+]1(C)CCOCC1.N#C[B-](C#N)(C#N)C#N

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.46
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
THRB P10828 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
SCHEMBL15212361 0.86 CDC25A (0.37) CDC25AHPGDALOX15
SCHEMBL28355508 0.86 CDC25A (0.55) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL17419072 0.86 CDC25A (0.55) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL5878763 0.86 CDC25A (0.55) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL4428238 0.86 CDC25A (0.55) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL13042277 0.86 CDC25A (0.55) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL4065812 0.86 CDC25A (0.55) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL4752338 0.86 CDC25A (0.55) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL92698 0.86 CDC25A (0.55) CDC25AGNAI3GNAO1GNAI1HPGD
SCHEMBL17418564 0.86 CDC25A (0.55) CDC25AGNAI3GNAO1GNAI1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279172-B1 USE OF IONIC LIQUIDS WITH TETRACYANOBORATE ANIONS AS A SOLVENT FOR EXTRACTION OF ALCOHOLS FROM AQUEOUS SOLUTIONS MERCK PATENT GMBH (DE) 2013-06-26 EP claimed
US-8455703-B2 Use of ionic liquids with tetracyanoborate anions as a solvents for extraction of alcohols from aqueous solutions MERCK PATENT GMBH (DE) 2013-06-04 US claimed
US-20110071324-A1 Use of ionic liquids with tetracyanoborate anions as a solvents for extraction of alcohols from aqueous solutions MERCK PATENT GESELLSCHAFT (DE) 2011-03-24 US claimed
US-8455703-B2 Use of ionic liquids with tetracyanoborate anions as a solvents for extraction of alcohols from aqueous solutions MERCK PATENT GMBH (DE) 2013-06-04 US disclosed
US-20110071324-A1 Use of ionic liquids with tetracyanoborate anions as a solvents for extraction of alcohols from aqueous solutions MERCK PATENT GESELLSCHAFT (DE) 2011-03-24 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-20110071324-A1 Use of ionic liquids with tetracyanoborate anions as a solvents for extraction of alcohols from aqueous solutions ADH1C, SLC6A6, ADH5 CDC25A 4169/4885GNAI3 2024/4885GNAO1 2847/4885

“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.