SCHEMBL1467957

SCHEMBL1467957

CCCCCCCC[n+]1ccccc1.N#C[B-](C#N)(C#N)C#N

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 3/20 0.75
HSP90AA1 P07900 2/20 0.75
HSPD1 P10809 1/20 0.75
HSPE1 P61604 1/20 0.75
ACHE P22303 4/20 0.74
CHRM2 P08172 2/20 0.74
ADRA2A P08913 2/20 0.74
ADORA3 P0DMS8 2/20 0.74
CHRM1 P11229 2/20 0.74
SLC6A2 P23975 2/20 0.74
SLC6A4 P31645 2/20 0.74
SLC6A3 Q01959 2/20 0.74
ABCB11 O95342 1/20 0.74
ESR1 P03372 1/20 0.74
PGR P06401 1/20 0.74
HTR1A P08908 1/20 0.74
DRD1 P21728 1/20 0.74
TBXA2R P21731 1/20 0.74
PTGS1 P23219 1/20 0.74
PDE4A P27815 1/20 0.74

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
SCHEMBL15212269 0.92 RAD52 (0.62) RAD52HSP90AA1HSPD1HSPE1ACHE
Cetylpyridinium SCHEMBL5279340 0.88 RAD52 (0.95) RAD52HSP90AA1HSPD1HSPE1ACHE
Water SCHEMBL8606702 0.88 RAD52 (0.95) RAD52HSP90AA1HSPD1HSPE1ACHE
Thiocyanic Acid SCHEMBL6460077 0.87 RAD52 (0.78) RAD52HSP90AA1HSPD1HSPE1ACHE
Cyanamide SCHEMBL14322562 0.87 RAD52 (0.78) RAD52HSP90AA1HSPD1HSPE1ACHE
Thiocyanic Acid SCHEMBL28002523 0.87 RAD52 (0.78) RAD52HSP90AA1HSPD1HSPE1ACHE
Thiocyanic Acid SCHEMBL6466559 0.87 RAD52 (0.78) RAD52HSP90AA1HSPD1HSPE1ACHE
Thiocyanic Acid SCHEMBL6465589 0.87 RAD52 (0.78) RAD52HSP90AA1HSPD1HSPE1ACHE
Cetylpyridinium SCHEMBL10705155 0.87 RAD52 (0.78) RAD52HSP90AA1HSPD1HSPE1ACHE
Thiocyanic Acid SCHEMBL28811030 0.87 RAD52 (0.78) RAD52HSP90AA1HSPD1HSPE1ACHE

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 4 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-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 RAD52 4622/4885HSP90AA1 4410/4885HSPD1 4526/4885

“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.