SCHEMBL1467595

SCHEMBL1467595

CCCCCCCCCCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.CCCCCCCCCCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.CCCCCCCCCCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.CCCCCCCCCCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.CCCCCCCCCCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.CCCCCCCCCCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.CCCCCCCCCCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.CCCCCCCCCCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.N#CB([O-])[O-].N#CB([O-])[O-].N#CB([O-])[O-].N#CB([O-])[O-]

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.59
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
ALOX12 P18054 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HIF1A Q16665 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SLC22A2 O15244 1/20 0.55
DNM1 Q05193 5/20 0.52
LSS P48449 1/20 0.44
APAF1 O14727 1/20 0.44
HSP90AA1 P07900 1/20 0.44
RAD52 P43351 1/20 0.44

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
SCHEMBL18604116 0.94 DNM1 (0.64) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL18604191 0.94 DNM1 (0.64) SLC22A1ALDH1A1TP53CYP3A4ALOX15
Tetrabuthylammonium SCHEMBL1714090 0.93 SLC22A1 (0.57) SLC22A1ALDH1A1TP53CYP3A4ALOX15
Tetrahexylammonium SCHEMBL10909488 0.83 SLC22A1 (0.68) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL3039163 0.83 SLC22A1 (0.77) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL7636210 0.80 SLC22A1 (0.72) SLC22A1ALDH1A1TP53CYP3A4ALOX15
Tetrapentylammonium SCHEMBL10909204 0.80 SLC22A1 (0.67) SLC22A1ALDH1A1TP53CYP3A4ALOX15
Water SCHEMBL590034 0.80 SLC22A1 (0.93) SLC22A1ALDH1A1TP53CYP3A4ALOX15
Tetrahexylammonium SCHEMBL14250018 0.78 SLC22A1 (0.68) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL7635090 0.78 SLC22A1 (0.68) SLC22A1ALDH1A1TP53CYP3A4ALOX15

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 SLC22A1 951/4885ALDH1A1 1093/4885TP53 3607/4885

“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.