SCHEMBL4621265

SCHEMBL4621265

CCCCCC[Si](N)(CCCCCC)CCCCCC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
THRB P10828 1/20 0.50
DNM1 Q05193 9/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
EPHX1 P07099 1/20 0.45
EPHX2 P34913 1/20 0.39
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL28669348 0.97 TSHR (0.47) TSHRTHRBDNM1ALDH1A1MEN1
SCHEMBL28470012 0.94 TSHR (0.41) TSHRTHRBDNM1ALDH1A1MEN1
SCHEMBL28658915 0.91 TSHR (0.39) TSHRTHRBDNM1ALDH1A1MEN1
SCHEMBL3389388 0.87 TSHR (0.40) TSHRTHRBDNM1ALDH1A1MEN1
SCHEMBL29449237 0.81 TSHR (0.50) TSHRTHRBDNM1ALDH1A1MEN1
SCHEMBL29449222 0.81 TSHR (0.50) TSHRTHRBDNM1ALDH1A1MEN1
SCHEMBL29449227 0.81 TSHR (0.50) TSHRTHRBDNM1ALDH1A1MEN1
SCHEMBL29449269 0.81 TSHR (0.50) TSHRTHRBDNM1ALDH1A1MEN1
SCHEMBL29449232 0.81 TSHR (0.50) TSHRTHRBDNM1ALDH1A1MEN1
SCHEMBL14859089 0.81 TSHR (0.50) TSHRTHRBDNM1ALDH1A1MEN1

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
EP-1881955-A1 BIS-AMINATION OF ARYL HALIDES Boehringer Ingelheim International GmbH (DE) 2008-01-30 EP claimed
WO-2006124283-A1 BIS-AMINATION OF ARYL HALIDES BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2006-11-23 WO claimed
US-20060258888-A1 Bis-Amination of Aryl Halides BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2006-11-16 US claimed
WO-2014206863-A1 POLYMERS BASED ON FUSED DIKETOPYRROLOPYRROLES BASF SE (DE) 2014-12-31 WO disclosed
EP-1624851-B1 HAIR CARE APPLICATIONS OF EMULSIONS CONTAINING ELASTOMERIC SILANES AND SILOXANES WITH NITROGEN ATOMS DOW CORNING (US) 2014-05-28 EP disclosed
US-7902293-B2 Method of preparing emulsions containing elastomeric silanes and siloxanes having quaternary ammonium groups DOW CORNING CORPORATION (US) 2011-03-08 US disclosed
EP-1625132-B1 METHOD OF PREPARING EMULSIONS CONTAINING ELASTOMERIC SILANES AND SILOXANES HAVING QUATERNARY AMMONIUM GROUPS DOW CORNING (US) 2008-08-13 EP disclosed
US-20060269506-A1 Personal care applications of emulsions containing elastomeric silanes and siloxanes with nitrogen atoms DOW CORNING CORPORATION (US) 2006-11-30 US disclosed
US-20060193805-A1 Method of preparing emulsions containing elastomeric silanes and siloxanes having quaternary ammonium groups DOW SILICONES CORPORATION 2006-08-31 US disclosed
EP-1426398-B1 Method of making emulsion containing quaternary ammonium functional silanes and siloxanes DOW CORNING (US) 2006-07-05 EP disclosed
EP-1625132-A1 METHOD OF PREPARING EMULSIONS CONTAINING ELASTOMERIC SILANES AND SILOXANES HAVING QUATERNARY AMMONIUM GROUPS Dow Corning Corporation (US) 2006-02-15 EP disclosed
US-6452060-B2 BY REACTING AN ALLYL COMPOUND HAVING A LEAVING GROUP WITH A NON-NUCLEOPHILIC STRONG BASE IN AN INERT SOLVENT IN THE PRESENCE OF A CATALYTIC AMOUNT OF A NON-NUCLEOPHILIC, WEAKER BASE; HIGH YIELD, CATALYST SELECTIVITY ROHM AND HAAS COMPANY 2002-09-17 US disclosed
US-20020043730-A1 Continuous process for the preparation of encapsulated cyclopropenes AGROFRESH, INC. 2002-04-18 US disclosed
US-20010051756-A1 Method to prepare cyclopropenes AGROFRESH, INC. 2001-12-13 US disclosed
EP-1146028-A1 A method to prepare cyclopropenes ROHM AND HAAS COMPANY (US) 2001-10-17 EP disclosed
EP-0610038-B1 Preparation of alkylsilyl nitrile SIVENTO INC (US) 2001-08-29 EP disclosed
CN-1042336-C Preparation of trialkylsilyl nitrile HULS AMERICA INC (US) 1999-03-03 CN disclosed
EP-0759439-A2 Synthesis of silylated cyanohydrins HÜLS AMERICA INC. (US) 1997-02-26 EP disclosed
EP-0610038-A1 Preparation of alkylsilyl nitrile HÜLS AMERICA INC. (US) 1994-08-10 EP disclosed
US-5258534-A Preparation of trialkylsilyl nitrile HULS AMERICA, INC. (US) 1993-11-02 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 (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-20010051756-A1 Method to prepare cyclopropenes CYP11A1, CYP11B2, CYCS TSHR 4223/4885THRB 4819/4885DNM1 155/4885
US-20020043730-A1 Continuous process for the preparation of encapsulated cyclopropenes AGPS, CYCS, PDIA6 TSHR 4596/4885THRB 4871/4885DNM1 1827/4885
US-20060258888-A1 Bis-Amination of Aryl Halides ABL1, AOC2, AADAC TSHR 926/4885THRB 696/4885DNM1 4063/4885
US-20060193805-A1 Method of preparing emulsions containing elastomeric silanes and siloxanes having quaternary ammonium groups COPE, ITCH, CUTA TSHR 4691/4885THRB 3846/4885DNM1 3509/4885
US-20060269506-A1 Personal care applications of emulsions containing elastomeric silanes and siloxanes with nitrogen atoms CUTA, POLR1C, ITCH TSHR 4481/4885THRB 3271/4885DNM1 3678/4885

“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.