SCHEMBL902709

SCHEMBL902709

CCCC[Si](C#N)(CCCC)CCCC

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL10878964 0.92 TSHR (0.39) TSHRLMNATHRB
SCHEMBL8764126 0.89 TSHR (0.42) TSHRLMNATHRBALDH1A1
SCHEMBL725791 0.81 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL10731666 0.75 TSHR (0.38) TSHRLMNATHRBALDH1A1
SCHEMBL4630251 0.74
SCHEMBL10725699 0.71 TSHR (0.33) TSHRLMNATHRB
SCHEMBL16414463 0.71 TSHR (0.33) TSHRLMNATHRB
SCHEMBL20658198 0.71 TSHR (0.33) TSHRLMNATHRB
SCHEMBL9504255 0.69 TSHR (0.32) TSHRLMNATHRB
SCHEMBL725792 0.67

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017102055-A1 METHOD FOR PRODUCING SALTS WITH MONOFLUOROTRICYANOBORATE ANIONS MERCK PATENT GMBH (DE) 2017-06-22 WO disclosed
EP-2731955-B1 COMPOUNDS CONTAINING ALKYL-CYANO-BORATE OR ALKYL-CYANO-FLUOROBORATE ANIONS MERCK PATENT GMBH (DE) 2017-01-11 EP disclosed
US-9399650-B2 Method for producing salts having monofluoro-tricyanoborate anions MERCK PATENT GMBH (DE) 2016-07-26 US disclosed
WO-2016074760-A1 METHOD FOR PRODUCING SALTS HAVING HYDRIDOCYANOBORATE ANIONS MERCK PATENT GMBH (DE) 2016-05-19 WO disclosed
US-20160130285-A1 METHOD FOR PRODUCING SALTS HAVING HYDRIDOCYANOBORATE ANIONS MERCK PATENT GMBH (DE) 2016-05-12 US disclosed
US-20160130286-A1 METHOD FOR PRODUCING SALTS HAVING MONOFLUORO-TRICYANOBORATE ANIONS MERCK PATENT GMBH (DE) 2016-05-12 US disclosed
EP-3008074-A1 METHOD FOR PRODUCING SALTS HAVING HYDRIDOCYANOBORATE ANIONS Merck Patent GmbH (DE) 2016-04-20 EP disclosed
EP-3008075-A1 METHOD FOR PRODUCING SALTS HAVING MONOFLUORO-TRICYANOBORATE ANIONS Merck Patent GmbH (DE) 2016-04-20 EP disclosed
WO-2016015811-A1 METHOD FOR PRODUCING SALTS HAVING HYDRIDOCYANOBORATE ANIONS MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed
WO-2015185178-A1 METHOD FOR PREPARING TETRACYANOBORATE SALTS MERCK PATENT GMBH (DE) 2015-12-10 WO disclosed
WO-2013010641-A1 COMPOUNDS CONTAINING ALKYL-CYANO-BORATE OR ALKYL-CYANO-FLUOROBORATE ANIONS MERCK PATENT GMBH (DE) 2013-01-24 WO disclosed
US-20120309982-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
US-20120309981-A1 PROCESS FOR THE PREPARATION OF PERFLUOROALKYLCYANO- OR PERFLUOROALKYLCYANOFLUOROBORATES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
WO-2012163488-A1 PROCESS FOR PREPARING DIHYDRIDODICYANOBORATE SALTS MERCK PATENT GMBH (DE) 2012-12-06 WO disclosed
WO-2012163490-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2012-12-06 WO disclosed
US-20120296096-A1 COMPOUNDS CONTAINING PERFLUOROALKYL-CYANO-ALKOXY-BORATE ANIONS OR PERFLUOROALKYL-CYANO-ALKOXY-FLUORO-BORATE ANIONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-11-22 US disclosed
WO-2012041434-A1 ELECTROLYTE FORMULATIONS CONTAINING CYANO-ALKOXY-BORATE ANIONS MERCK PATENT GMBH (DE) 2012-04-05 WO disclosed
WO-2011085965-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2011-07-21 WO disclosed
WO-2011085966-A1 METHOD FOR PRODUCING PERFLUOROALKYL CYANOBORATES OR PERFLUOROALKYL CYANOFLUOROBORATES MERCK PATENT GMBH (DE) 2011-07-21 WO disclosed
WO-2011085967-A1 COMPOUNDS CONTAINING PERFLUOROALKYL-CYANO-ALKOXY-BORATE ANIONS OR PERFLUOROALKYL-CYANO-ALKOXY-FLUORO-BORATE ANIONS MERCK PATENT GMBH (DE) 2011-07-21 WO 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 (5 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-20160130286-A1 METHOD FOR PRODUCING SALTS HAVING MONOFLUORO-TRICYANOBORATE ANIONS SLC6A6, TBCB, CA6 TSHR 2937/4885LMNA 2824/4885THRB 3159/4885
US-20120309982-A1 ELECTROLYTE FORMULATIONS SLC9A5, NHERF1, AFF1 TSHR 1226/4885LMNA 3066/4885THRB 3371/4885
US-20120296096-A1 COMPOUNDS CONTAINING PERFLUOROALKYL-CYANO-ALKOXY-BORATE ANIONS OR PERFLUOROALKYL-CYANO-ALKOXY-FLUORO-BORATE ANIONS PFAS, PFKFB3, PFKFB1 TSHR 1427/4885LMNA 863/4885THRB 2050/4885
US-20120309981-A1 PROCESS FOR THE PREPARATION OF PERFLUOROALKYLCYANO- OR PERFLUOROALKYLCYANOFLUOROBORATES SLCO4C1, SLCO2B1, PFAS TSHR 731/4885LMNA 1434/4885THRB 1999/4885
US-20160130285-A1 METHOD FOR PRODUCING SALTS HAVING HYDRIDOCYANOBORATE ANIONS HDHD5, SLC6A6, MAGT1 TSHR 2549/4885LMNA 4369/4885THRB 2774/4885

“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.