SCHEMBL1314718

SCHEMBL1314718

Cc1cccc(C)c1[Si](Cl)(c1ccccc1)c1c(C)cccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.39
TSHR P16473 2/20 0.39
CYP2A6 P11509 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CCR1 P32246 1/20 0.31
CCR8 P51685 1/20 0.31
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MYC P01106 1/20 0.31
NPC1 O15118 1/20 0.30
CASP3 P42574 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
SCHEMBL1314281 0.95 ACHE (0.39) ACHETSHRCYP2A6CYP1A2ALDH1A1
SCHEMBL12814677 0.85 CYP1A2 (0.33) ACHETSHRCYP2A6CYP1A2ALDH1A1
SCHEMBL1314842 0.83 CYP2A6 (0.43) ACHETSHRCYP2A6CYP1A2ALDH1A1
SCHEMBL1316161 0.83 CYP1A2 (0.38) ACHETSHRCYP2A6CYP1A2ALDH1A1
SCHEMBL1314823 0.80 TSHR (0.38) ACHETSHRCYP2A6CYP1A2ALDH1A1
SCHEMBL12816614 0.79 MAOA (0.31) CYP2A6CYP1A2
SCHEMBL12815637 0.79 TP53 (0.35) CYP2A6CYP1A2ALDH1A1LMNANPC1
SCHEMBL10318605 0.78 CYP1A2 (0.34) ACHETSHRCYP2A6CYP1A2
SCHEMBL12815665 0.78 ACHE (0.39) ACHETSHRCYP2A6CYP1A2ALDH1A1
SCHEMBL1314158 0.78 CYP1A2 (0.38) ACHETSHRCYP2A6CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2691357-A1 METHOD FOR PRODUCING 1-HEXENE Sumitomo Chemical Company Limited (JP) 2014-02-05 EP disclosed
US-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-09 US disclosed
WO-2012133928-A1 TRIMERIZATION CATALYST AND METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2012133929-A1 METHOD FOR PRODUCING THE TRANSITION METAL ION COMPLEX, CATALYST FOR TRIMERIZATION, AND METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2012133921-A1 CATALYST FOR OLEFIN OLIGOMERIZATION AND METHOD FOR PRODUCING α-OLEFIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2012133937-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
US-8163950-B2 Processes for the production of tri-organo-monoalkoxysilanes and process for the production of tri-organo-monochlorosilanes SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-20110275849-A1 PROCESSES FOR THE PRODUCTION OF TRI-ORGANO-MONOALKOXYSILANES AND PROCESS FOR THE PRODUCTION OF TRI-ORGANO-MONOCHLOROSILANES BANNOU TADASHI 2011-11-10 US disclosed
US-8008521-B2 Processes for the production of tri-organo-monoalkoxysilanes and process for the production of tri-organo-monochlorosilanes HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2011-08-30 US disclosed
US-20090082585-A1 PROCESSES FOR THE PRODUCTION OF TRI-ORGANO-MONOALKOXYSILANES AND PROCESS FOR THE PRODUCTION OF TRI-ORGANO-MONOCHLOROSILANES BANNOU TADASHI 2009-03-26 US disclosed
US-7459577-B2 Reacting a chlorosilane with grignard reagent SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-12-02 US disclosed
US-20050070730-A1 Production processes for triorganomonoalkoxysilanes and triorganomonochlorosilanes SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-03-31 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 (4 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-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE AP2A1, AP1M1, ME1 ACHE 446/4885TSHR 2851/4885CYP2A6 175/4885
US-20110275849-A1 PROCESSES FOR THE PRODUCTION OF TRI-ORGANO-MONOALKOXYSILANES AND PROCESS FOR THE PRODUCTION OF TRI-ORGANO-MONOCHLOROSILANES MLX, HAX1, RPS4X ACHE 4073/4885TSHR 954/4885CYP2A6 1437/4885
US-20090082585-A1 PROCESSES FOR THE PRODUCTION OF TRI-ORGANO-MONOALKOXYSILANES AND PROCESS FOR THE PRODUCTION OF TRI-ORGANO-MONOCHLOROSILANES MLX, HAX1, RPS4X ACHE 4073/4885TSHR 954/4885CYP2A6 1437/4885
US-20050070730-A1 Production processes for triorganomonoalkoxysilanes and triorganomonochlorosilanes MLX, HAX1, GRIA3 ACHE 3263/4885TSHR 682/4885CYP2A6 1350/4885

“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.