SCHEMBL1644059

SCHEMBL1644059

CCCCC[Si](C)(C)CCl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
THRB P10828 1/20 0.37
LMNA P02545 1/20 0.32
PLA2G1B P04054 1/20 0.31
HSP90AA1 P07900 1/20 0.31
RAD52 P43351 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
SLC22A1 O15245 2/20 0.30
SLC22A2 O15244 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FAAH O00519 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
SCHEMBL993499 0.97 TSHR (0.46) TSHRALDH1A1TDP1THRBLMNA
SCHEMBL28096084 0.97 TSHR (0.46) TSHRALDH1A1TDP1THRBLMNA
SCHEMBL20856792 0.97 TSHR (0.46) TSHRALDH1A1TDP1THRBLMNA
SCHEMBL992167 0.97 TSHR (0.46) TSHRALDH1A1TDP1THRBLMNA
SCHEMBL1644055 0.92
SCHEMBL2791955 0.82 TSHR (0.47) TSHRALDH1A1THRBLMNASLC22A1
SCHEMBL10711374 0.79
SCHEMBL10356295 0.79 TSHR (0.53) TSHRALDH1A1THRBLMNASLC22A1
SCHEMBL19119178 0.79 TSHR (0.53) TSHRALDH1A1THRBLMNASLC22A1
SCHEMBL10356347 0.79 TSHR (0.53) TSHRALDH1A1THRBLMNASLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2212335-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'Oréal (FR) 2010-08-04 EP disclosed
EP-1535925-B1 4,4-Diarylbutadiene functionalized methyltrialkylsilanes and cosmetic or photoprotective dermatological compositions containing them OREAL (FR) 2009-05-27 EP disclosed
WO-2009053149-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) 2009-04-30 WO disclosed
US-20090054369-A1 PHARMACEUTICAL COMPOSITIONS OF SILICON-CONTAINING SUBSTITUTED ADENOSINE NUCLEOSIDE AMIDE ANALOGS RND PHARMACEUTICALS, INC. (US) 2009-02-26 US disclosed
US-7432386-B2 Diarylbutadiene-substituted methyltrialkylsilanes and photoprotective compositions comprised thereof L'OREAL (FR) 2008-10-07 US disclosed
EP-1919929-A4 PHARMACEUTICAL COMPOSITIONS OF SILICON-CONTAINING SUBSTITUTED ADENOSINE NUCLEOSIDE AMIDE ANALOGS RND PHARMACEUTICALS INC (US) 2008-08-06 EP disclosed
US-20080171802-A1 Methyltrialkylsilanes containing a cinnamate, cinnamamide, benzalmalonamide or benzalmalonate function and photostabilizing methods L'OREAL (FR) 2008-07-17 US disclosed
WO-2008058999-A1 NOVEL SILICEOUS DITHIOLANE-BASED COMPOUNDS AND USE THEREOF L'OREAL (FR) 2008-05-22 WO disclosed
EP-1919929-A2 PHARMACEUTICAL COMPOSITIONS OF SILICON-CONTAINING SUBSTITUTED ADENOSINE NUCLEOSIDE AMIDE ANALOGS RND Pharmaceuticals, Inc. (US) 2008-05-14 EP disclosed
US-7354571-B2 Photoprotective compositions comprising methyltrialkylsilanes containing a cinnamate, cinnamamide, benzalmalonamide or benzalmalonate function L'OREAL (FR) 2008-04-08 US disclosed
EP-1594880-B1 PHOTOPROTECTIVE COMPOSITIONS BASED ON METHYLTRIALKYLSILANES CONTAINING A CINNAMATE, CINNAMAMIDE, BENZALMALONAMIDE OR BENZALMALONATE FUNCTION OREAL (FR) 2008-03-19 EP disclosed
US-20070213547-A1 For UV-photoprotecting human skin against the damaging effects of UV-radiation, notably UV-A radiation; example: monotrimethylsilanylmethyl monoethyl diester of (3,3-diphenyl-2-propylidene)propanedioic acid; good resistance to water and to perspiration L'OREAL 2007-09-13 US disclosed
US-7229609-B2 Diarylbutadiene-substituted methyltrialkylsilanes and photoprotective compositions comprised thereof L'OREAL (FR) 2007-06-12 US disclosed
WO-2007019221-A2 PHARMACEUTICAL COMPOSITIONS OF SILICON-CONTAINING SUBSTITUTED ADENOSINE NUCLEOSIDE AMIDE ANALOGS RND PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
US-20060018848-A1 Photoprotective compositions comprising methyltrialkylsilanes containing a cinnamate, cinnamamide, benzalmalonamide or benzalmalonate function L'OREAL (FR) 2006-01-26 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-20050201957-A1 Diarylbutadiene-substituted methyltrialkylsilanes and photoprotective compositions comprised thereof L'OREAL (FR) 2005-09-15 US disclosed
EP-1535925-A1 4,4-Diarylbutadiene functionalized methyltrialkylsilanes and cosmetic or photoprotective dermatological compositions containing them L'OREAL (FR) 2005-06-01 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20070213547-A1 For UV-photoprotecting human skin against the damaging effects of UV-radiation, notably UV-A radiation; example: monotrimethylsilanylmethyl monoethyl diester of (3,3-diphenyl-2-propylidene)propanedioic acid; good resistance to water and to perspiration CUTA, DDB1, DCLRE1A TSHR 4721/4885ALDH1A1 109/4885TDP1 1260/4885
US-20080171802-A1 Methyltrialkylsilanes containing a cinnamate, cinnamamide, benzalmalonamide or benzalmalonate function and photostabilizing methods KCNN1, KCNN2, CMBL TSHR 4813/4885ALDH1A1 828/4885TDP1 3416/4885
US-20060018848-A1 Photoprotective compositions comprising methyltrialkylsilanes containing a cinnamate, cinnamamide, benzalmalonamide or benzalmalonate function TRPM7, TRPM6, KCNN1 TSHR 4842/4885ALDH1A1 636/4885TDP1 2968/4885
US-20050201957-A1 Diarylbutadiene-substituted methyltrialkylsilanes and photoprotective compositions comprised thereof MGMT, DDB1, ERCC1 TSHR 4745/4885ALDH1A1 333/4885TDP1 765/4885
US-20090054369-A1 PHARMACEUTICAL COMPOSITIONS OF SILICON-CONTAINING SUBSTITUTED ADENOSINE NUCLEOSIDE AMIDE ANALOGS SI, SLC29A2, SLC29A1 TSHR 3201/4885ALDH1A1 2716/4885TDP1 2410/4885
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 TSHR 2744/4885ALDH1A1 520/4885TDP1 2223/4885

“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.