SCHEMBL840528

SCHEMBL840528

Cc1ccc(CC[Si](Cl)(Cl)Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
IDO1 P14902 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
KCNH2 Q12809 1/20 0.41
GALR3 O60755 1/20 0.40
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AGXT P21549 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 1/20 0.38
TP53 P04637 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
SCHEMBL6848455 0.87 CA2 (0.38) CYP1A2CYP2A6TAAR1IDO1TDP1
SCHEMBL11207430 0.86 CYP1A2 (0.50) CYP1A2CYP2A6TAAR1IDO1HRH3
Toluene SCHEMBL18394201 0.85 LMNA (0.46) CYP1A2TAAR1IDO1ALOX15ACHE
SCHEMBL446130 0.84 CYP1A2 (0.48) CYP1A2CYP2A6TAAR1IDO1HRH3
SCHEMBL14078071 0.80 CYP1A2 (0.45) CYP1A2CYP2A6TAAR1IDO1HRH3
SCHEMBL11216125 0.79 LMNA (0.48) CYP1A2CYP2A6TAAR1TDP1NPC1
SCHEMBL24602755 0.78 CYP1A2 (0.52) CYP1A2CYP2A6TAAR1IDO1HRH3
SCHEMBL5490774 0.78 TAAR1 (0.52) CYP1A2CYP2A6TAAR1IDO1IGF1R
SCHEMBL926567 0.78 CA2 (0.37) TAAR1
SCHEMBL8859946 0.77 KMT2A (0.43) CYP1A2CYP2A6TAAR1ACHENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310446-B1 ACTIVATED HALO-CONTAINING ARALKYLSILANE MOMENTIVE PERFORMANCE MAT INC (US) 2015-12-23 EP disclosed
CN-102432924-B Rubber composition, process of preparing same and articles made therefrom MOMENTIVE PERFORMANCE MAT INC 2014-04-09 CN disclosed
CN-102177197-B Activated halo-containing aralkylsilane MOMENTIVE PERFORMANCE MAT INC 2013-11-06 CN disclosed
CN-101641226-B Rubber composition, method of making the same, and articles made therefrom MOMENTIVE PERFORMANCE MAT INC 2013-02-13 CN disclosed
CN-102432924-A Rubber composition, method of making the same, and articles made therefrom MOMENTIVE PERFORMANCE MAT INC 2012-05-02 CN disclosed
US-8143336-B2 Activated halo-containing aralkylsilane composition, process of preparing same and rubber compositions made therefrom MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2012-03-27 US disclosed
CN-102177197-A Activated halo-containing aralkylsilane MOMENTIVE PERFORMANCE MAT INC 2011-09-07 CN disclosed
EP-2310446-A1 ACTIVATED HALO-CONTAINING ARALKYLSILANE Momentive Performance Materials Inc. (US) 2011-04-20 EP disclosed
EP-2121349-B1 RUBBER COMPOSITION, PROCESS OF PREPARING SAME AND ARTICLES MADE THEREFROM MOMENTIVE PERFORMANCE MAT INC (US) 2010-11-17 EP disclosed
US-20100036018-A1 ACTIVATED HALO-CONTAINING ARALKYLSILANE COMPOSITION, PROCESS OF PREPARING SAME AND RUBBER COMPOSITIONS MADE THEREFROM MOMENTIVE PERFORMANCE MATERIALS INC. 2010-02-11 US disclosed
EP-1244676-B1 SULFUR-CONTAINING SILANE AS COUPLING AGENTS GEN ELECTRIC (US) 2004-10-13 EP disclosed
US-20040143081-A1 Novel silicon compounds and process for preparation thereof JNC CORPORATION (JP) 2004-07-22 US disclosed
US-20040082803-A1 Trichlorosilyl groups containing organochlorosilanes and their preparation methods by the double-silylation of olefins with trichlorosilane KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2004-04-29 US disclosed
US-6518335-B2 Made by chlorine-free process by reacting alkoxysilane acetals such as (3,3-dimethoxypropyl)trimethoxysilane with sulfurating agents such as sulfur, hydrogen sulfide, or thiols; use in silica-filled rubbers CROMPTON CORPORATION 2003-02-11 US disclosed
CN-1394208-A Sulfur-containing silane coupling agents CROMPTON CORP (US) 2003-01-29 CN disclosed
EP-1244676-A1 SULFUR-CONTAINING SILANE AS COUPLING AGENTS Crompton Corporation (US) 2002-10-02 EP disclosed
US-20020002220-A1 SULFUR-CONTAINING SILANE COUPLING AGENTS MOMENTIVE PERFORMANCE MATERIALS INC. 2002-01-03 US disclosed
WO-2001049695-A1 SULFUR-CONTAINING SILANE AS COUPLING AGENTS CROMPTON CORPORATION (US) 2001-07-12 WO disclosed
US-4099981-A MINERAL FILLER UNION CARBIDE CORPORATION (US) 1978-07-11 US disclosed
US-4044037-A COUPLING AGENTS UNION CARBIDE CORPORATION (US) 1977-08-23 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 (1 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-20040082803-A1 Trichlorosilyl groups containing organochlorosilanes and their preparation methods by the double-silylation of olefins with trichlorosilane CBR1, OXSR1, HCCS CYP1A2 790/4885CYP2A6 706/4885TAAR1 123/4885

“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.