SCHEMBL1822642

SCHEMBL1822642

C=C[Si](C)(C=C)O[Si](C)(C)C.CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[Pd]

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 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
SCHEMBL1821813 0.80 GABRA1 (0.41) ALDH1A1ALOX15TSHR
Hydrochloric Acid SCHEMBL28925989 0.78 GABRA1 (0.40) ALDH1A1ALOX15TSHR
Hydrochloric Acid SCHEMBL1819293 0.78 GABRA1 (0.40) ALDH1A1ALOX15TSHR
SCHEMBL4602957 0.77
SCHEMBL21722446 0.73 GABRA1 (0.30)
Naphthoquinone SCHEMBL29639242 0.67 DPP4 (0.44) ALDH1A1ALOX15TSHR
Naphthoquinone SCHEMBL1820512 0.67 DPP4 (0.44) ALDH1A1ALOX15TSHR
SCHEMBL1772757 0.67 CYP3A4 (0.34) ALDH1A1ALOX15TSHR
SCHEMBL31239234 0.65
SCHEMBL5485162 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737301-B2 Preparation of 2-bicyclopropyl-2-yl-phenylamine through catalyzing the dehydrochlorination in the presence of a palladium complex; cost efficiency; used as intermediates for the preparation of fungicides SYNGENTA CROP PROTECTION, INC. (US) 2010-06-15 US claimed
US-20090221855-A1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 US claimed
EP-1931618-B1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA PARTICIPATIONS AG (CH) 2009-08-05 EP claimed
EP-1931618-A1 PROCESS FOR THE PRODUCTION OF ANILINES Syngeta Participations AG (CH) 2008-06-18 EP claimed
WO-2007025693-A1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA PARTICIPATIONS AG (CH) 2007-03-08 WO claimed
EP-2560959-B1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-08-20 EP disclosed
EP-2560960-B1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-26 EP disclosed
US-8524915-B2 Process for the preparation of pyrazole carboxylic acid amides SYNGENTA CROP PROTECTION LLC (US) 2013-09-03 US disclosed
US-8519151-B2 Process for the preparation of pyrazole carboxylic acid amides SYNGENTA CROP PROTECTION LLC (US) 2013-08-27 US disclosed
US-8519152-B2 Process for the preparation of pyrazole carboxylic acid amides SYNGENTA CROP PROTECTION LLC (US) 2013-08-27 US disclosed
EP-2316813-B1 Process for the preparation of amines SYNGENTA PARTICIPATIONS AG (CH) 2013-04-03 EP disclosed
EP-2560959-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE CARBOXYLIC ACID AMIDES Syngenta Participations AG (CH) 2013-02-27 EP disclosed
EP-2316813-A1 Process for the preparation of amines Syngenta Participations AG (CH) 2011-05-04 EP disclosed
US-7781615-B2 Process for the preparation of amines SYNGENTA CROP PROTECTION, INC. (US) 2010-08-24 US disclosed
US-7737301-B2 Preparation of 2-bicyclopropyl-2-yl-phenylamine through catalyzing the dehydrochlorination in the presence of a palladium complex; cost efficiency; used as intermediates for the preparation of fungicides SYNGENTA CROP PROTECTION, INC. (US) 2010-06-15 US disclosed
US-20090221855-A1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 US disclosed
US-20090221856-A1 PROCESS FOR THE PREPARATION OF AMINES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 US disclosed
EP-1931618-B1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA PARTICIPATIONS AG (CH) 2009-08-05 EP disclosed
EP-1931618-A1 PROCESS FOR THE PRODUCTION OF ANILINES Syngeta Participations AG (CH) 2008-06-18 EP disclosed
WO-2007025693-A1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA PARTICIPATIONS AG (CH) 2007-03-08 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-20090221855-A1 PROCESS FOR THE PRODUCTION OF ANILINES CBR3, C1S, C9 ALDH1A1 183/4885ALOX15 3471/4885TSHR 910/4885
US-20090221856-A1 PROCESS FOR THE PREPARATION OF AMINES HRH3, PAH, C1R ALDH1A1 1504/4885ALOX15 2996/4885TSHR 838/4885

“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.