SCHEMBL852173

SCHEMBL852173

Cc1cccc([SiH2]CCl)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
ATM Q13315 1/20 0.38
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
ACHE P22303 1/20 0.32
HTR1B P28222 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 1/20 0.31
JAK2 O60674 1/20 0.31
TNF P01375 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NOD1 Q9Y239 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
SCHEMBL9217674 0.82 TRPA1 (0.41) TRPA1ATMCYP1A2CYP2A6TSHR
SCHEMBL10440548 0.80 TRPA1 (0.39) TRPA1ATMCYP1A2CYP2A6TSHR
SCHEMBL7033569 0.78 TRPA1 (0.38) TRPA1ATMCYP1A2CYP2A6TSHR
SCHEMBL10523368 0.78 TRPA1 (0.38) TRPA1ATMCYP1A2CYP2A6TSHR
SCHEMBL9343766 0.78 TRPA1 (0.38) TRPA1ATMCYP1A2CYP2A6TSHR
SCHEMBL6340796 0.78 TRPA1 (0.43) TRPA1ATMCYP1A2CYP2A6TSHR
SCHEMBL1469568 0.76 HTR1B (0.33) TRPA1ATMTSHRSMN1; SMN2HTR1B
SCHEMBL1470830 0.75 TRPA1 (0.40) TRPA1ATMCYP1A2CYP2A6TSHR
SCHEMBL11206939 0.75 TRPA1 (0.36) TRPA1ATMCYP1A2ALDH1A1TDP1
SCHEMBL113990 0.75 TRPA1 (0.42) TRPA1ATMCYP1A2CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113244761-B Mixed silicone oil for capturing acid gas through phase change and preparation method thereof 昆明理工大学 2023-07-07 CN claimed
CN-113244761-B Mixed silicone oil for capturing acid gas through phase change and preparation method thereof 昆明理工大学 2023-07-07 CN disclosed
CN-113244761-A Mixed silicone oil for capturing acid gas through phase change and preparation method thereof 昆明理工大学 2021-08-13 CN disclosed
CN-111405980-A Article comprising a surface coating and method for producing the same 麦克斯特里尔有限公司 2020-07-10 CN disclosed
US-8952247-B2 Photoelectric converter and solar cell using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-10 US disclosed
US-8552289-B2 2013-10-08 US disclosed
EP-1644384-B1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF ENTECAVIR BRISTOL MYERS SQUIBB CO (US) 2012-10-31 EP disclosed
EP-2433941-A1 Process for isolating the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one Bristol-Myers Squibb Company (US) 2012-03-28 EP disclosed
US-20110097365-A1 S-TRIAZINE DERIVATIVES CONTAINING AT LEAST TWO PARTICULAR SILANE AMINOBENZOATE OR SILANE AMINOBENZAMIDE GROUPS; PHOTOPROTECTIVE COSMETIC COMPOSITIONS CONTAINING THESE DERIVATIVES; USES OF THE SAID S-TRIAZINE DERIVATIVES L'OREAL (FR) 2011-04-28 US disclosed
US-20110005597-A1 PHOTOELECTRIC CONVERTER AND SOLAR CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2011-01-13 US disclosed
EP-1594880-A1 PHOTOPROTECTIVE COMPOSITIONS BASED ON METHYLTRIALKYLSILANES CONTAINING A CINNAMATE, CINNAMAMIDE, BENZALMALONAMIDE OR BENZALMALONATE FUNCTION L'OREAL (FR) 2005-11-16 EP disclosed
US-20040192912-A1 Process for preparing the antiviral agent [1S-(1alpha,3 alpha,4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one BRISTOL-MYERS SQUIBB COMPANY 2004-09-30 US disclosed
WO-2004067539-A1 PHOTOPROTECTIVE COMPOSITIONS BASED ON METHYLTRIALKYLSILANES CONTAINING A CINNAMATE, CINNAMAMIDE, BENZALMALONAMIDE OR BENZALMALONATE FUNCTION L'OREAL (FR) 2004-08-12 WO disclosed
WO-2004052310-A2 PROCESS AND INTERMEDIATES FOR SYNTHESIS ENTECAVIR BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-24 WO disclosed
US-6608081-B2 Treating pneumonia ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-08-19 US disclosed
US-20020161029-A1 Bicyclic heterocyclic substituted phenyl oxazolidinone antibacterials, and related compositions and methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-10-31 US disclosed
CN-1216921-A Method for inducing vascular cell adhesion molecule-1 and treating chronic inflammatory diseases using 2, 6-dialkyl-4-silyl-phenols HOECHST MARION ROUSSEL INC (US) 1999-05-19 CN disclosed
EP-0770084-A1 SILYLMETHYL-ANILINE DERIVATIVES, METHODS OF PREPARATION AND USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1997-05-02 EP disclosed
WO-1996001830-A1 SILYLMETHYL-ANILINE DERIVATIVES, METHODS OF PREPARATION AND USE THEREOF AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-01-25 WO disclosed
EP-0464852-A1 Novel 2,6-di-alkyl-4-silyl-phenols as antiatherosclerotic agents and as antioxidants MERRELL PHARMACEUTICALS INC. (US) 1992-01-08 EP 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-20020161029-A1 Bicyclic heterocyclic substituted phenyl oxazolidinone antibacterials, and related compositions and methods OXA1L, NDUFS3, CYCS TRPA1 3049/4885ATM 2666/4885CYP1A2 169/4885
US-20040192912-A1 Process for preparing the antiviral agent [1S-(1alpha,3 alpha,4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one SAMHD1, NUDT1, ENTPD1 TRPA1 4866/4885ATM 4772/4885CYP1A2 2692/4885
US-20110097365-A1 S-TRIAZINE DERIVATIVES CONTAINING AT LEAST TWO PARTICULAR SILANE AMINOBENZOATE OR SILANE AMINOBENZAMIDE GROUPS; PHOTOPROTECTIVE COSMETIC COMPOSITIONS CONTAINING THESE DERIVATIVES; USES OF THE SAID S-TRIAZINE DERIVATIVES TST, STS, TYR TRPA1 300/4885ATM 507/4885CYP1A2 736/4885

“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.