SCHEMBL16296172

SCHEMBL16296172

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.40
THRB P10828 1/20 0.40
APAF1 O14727 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RAD52 P43351 1/20 0.32
DNM1 Q05193 6/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC22A1 O15245 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
SCHEMBL4630251 0.90
SCHEMBL18032583 0.79 TSHR (0.44) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL8764126 0.77 TSHR (0.42) TSHRTHRBAPAF1HSP90AA1RAD52
SCHEMBL12501155 0.77 TSHR (0.42) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL7052076 0.77 TSHR (0.42) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL10878964 0.74 TSHR (0.39) TSHRTHRBLMNASLC22A1
SCHEMBL10534051 0.73 TSHR (0.38) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL10913195 0.73 TSHR (0.38) TSHRTHRBDNM1ALDH1A1LMNA
SCHEMBL29190711 0.73 TSHR (0.35) TSHRTHRBDNM1ALDH1A1MEN1
SCHEMBL10536236 0.73 TSHR (0.38) TSHRTHRBDNM1ALDH1A1LMNA

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 13 patents. 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
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-20160130286-A1 METHOD FOR PRODUCING SALTS HAVING MONOFLUORO-TRICYANOBORATE ANIONS MERCK PATENT GMBH (DE) 2016-05-12 US disclosed
US-20160130285-A1 METHOD FOR PRODUCING SALTS HAVING HYDRIDOCYANOBORATE 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-2015185183-A1 METHOD FOR PREPARING SALTS CONTAINING MONOHYDRIDO-CYANO-BORATE ANIONS MERCK PATENT GMBH (DE) 2015-12-10 WO disclosed
WO-2015022048-A1 HEXACYANODIBORATES MERCK PATENT GMBH (DE) 2015-02-19 WO disclosed
WO-2014198402-A1 METHOD FOR PRODUCING SALTS HAVING HYDRIDOCYANOBORATE ANIONS MERCK PATENT GMBH (DE) 2014-12-18 WO disclosed
WO-2014198401-A1 METHOD FOR PRODUCING SALTS HAVING MONOFLUORO-TRICYANOBORATE ANIONS MERCK PATENT GMBH (DE) 2014-12-18 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 (2 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 2937/4885THRB 3159/4885APAF1 2206/4885
US-20160130285-A1 METHOD FOR PRODUCING SALTS HAVING HYDRIDOCYANOBORATE ANIONS HDHD5, SLC6A6, MAGT1 TSHR 2549/4885THRB 2774/4885APAF1 3734/4885

“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.