SCHEMBL1317819

SCHEMBL1317819

Cc1cccc([Mg]I)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.42
ATM Q13315 1/20 0.42
CYP2A6 P11509 2/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 3/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
MAPT P10636 3/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
CD44 P16070 1/20 0.32
HTR2C P28335 2/20 0.31
ADRB1 P08588 1/20 0.31
AHR P35869 1/20 0.31

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
SCHEMBL1314056 0.79
SCHEMBL1137018 0.79 TRPA1 (0.46) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL29456798 0.75 TRPA1 (0.42) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL1314594 0.75 TRPA1 (0.42) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL1022119 0.75 TRPA1 (0.42) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL5494561 0.71 TRPA1 (0.61) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL40704 0.71
SCHEMBL1315331 0.70 CYP2A6 (0.43) TRPA1ATMCYP2A6CYP1A2TSHR
Ammonia Solution, Strong SCHEMBL9810941 0.68 TRPA1 (0.58) TRPA1ATMCYP2A6CYP1A2TSHR
Benzene SCHEMBL22829865 0.68 TRPA1 (0.58) TRPA1ATMCYP2A6CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1837221-B Production processes for triorganomonochlorosilanes HOKKO CHEM IND CO 2011-06-08 CN 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
CN-1296374-C Method for producing triorgano-monoalkoxysilanes and method for producing triorgano-monochlorosilanes HOKKO CHEM IND CO (JP) 2007-01-24 CN disclosed
CN-1837221-A Production processes for triorganomonochlorosilanes HOKKO CHEM IND CO (JP) 2006-09-27 CN disclosed
CN-1612886-A Method for producing triorgano-monoalkoxysilanes and method for producing triorgano-monochlorosilanes HOKKO CHEM IND CO (JP) 2005-05-04 CN 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 (3 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-20110275849-A1 PROCESSES FOR THE PRODUCTION OF TRI-ORGANO-MONOALKOXYSILANES AND PROCESS FOR THE PRODUCTION OF TRI-ORGANO-MONOCHLOROSILANES MLX, HAX1, RPS4X TRPA1 3320/4885ATM 2614/4885CYP2A6 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 TRPA1 3320/4885ATM 2614/4885CYP2A6 1437/4885
US-20050070730-A1 Production processes for triorganomonoalkoxysilanes and triorganomonochlorosilanes MLX, HAX1, GRIA3 TRPA1 2963/4885ATM 2845/4885CYP2A6 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.