SCHEMBL409945

SCHEMBL409945

C=CC(=O)OC(CO)COCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 3/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PRKCA P17252 2/20 0.30
PRKCE Q02156 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCD Q05655 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
SCHEMBL15447693 0.91 HPGD (0.31) TSHRHPGD
SCHEMBL12113738 0.90 TSHR (0.36) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL410384 0.90 TSHR (0.36) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12131534 0.83 TSHR (0.33) TSHRHPGDPRKCAPRKCEPRKCQ
SCHEMBL409950 0.82 PRKCA (0.32) TSHRPRKCAPRKCEPRKCQPRKCD
SCHEMBL15447691 0.82 HPGD (0.30) TSHRHPGD
SCHEMBL14824482 0.81 TSHR (0.51) TSHRHPGDPRKCAPRKCEPRKCQ
Water SCHEMBL10950542 0.79 TSHR (0.50) TSHRHPGDPRKCAPRKCEPRKCQ
Acrylic Acid SCHEMBL1285971 0.78 USP2 (0.41)
SCHEMBL411296 0.78 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9921340-B2 Water-processable silicone-containing prepolymers and uses thereof NOVARTIS AG (CH) 2018-03-20 US disclosed
US-20160033683-A1 WATER-PROCESSABLE SILICONE-CONTAINING PREPOLYMERS AND USES THEREOF ALCON INC. (CH) 2016-02-04 US disclosed
US-9187601-B2 Water-processable silicone-containing prepolymers and uses thereof NOVARTIS AG (CH) 2015-11-17 US disclosed
US-8637589-B2 Silicone prepolymer solutions JOHNSON & JOHNSON VISION CARE, INC. (US) 2014-01-28 US disclosed
US-8569538-B2 Acryloyl materials for molded plastics JOHNSON & JOHNSON VISION CARE, INC. (US) 2013-10-29 US disclosed
US-8569538-B2 Acryloyl materials for molded plastics JOHNSON & JOHNSON VISION CARE, INC. (US) 2013-10-29 US disclosed
US-8399539-B2 Soluble silicone prepolymers JOHNSON & JOHNSON VISION CARE, INC. (US) 2013-03-19 US disclosed
US-20120088861-A1 WATER-PROCESSABLE SILICONE-CONTAINING PREPOLYMERS AND USES THEREOF ALCON INC. (CH) 2012-04-12 US disclosed
US-20120065348-A1 SOLUBLE SILICONE PREPOLYMERS TORAY INDUSTRIES, INC. (JP) 2012-03-15 US disclosed
US-8080622-B2 Soluble silicone prepolymers JOHNSON & JOHNSON VISION CARE, INC. (US) 2011-12-20 US disclosed
US-8080622-B2 Soluble silicone prepolymers JOHNSON & JOHNSON VISION CARE, INC. (US) 2011-12-20 US disclosed
US-8053539-B2 Prepared by purifying acrylic siloxanyl containing monomers by distillation in the presence of at least one polymerization inhibitor which can be an alkylhydroquinone or a hydroxynaphthalene; without substantial amounts of polymerization product(s) and without discoloration; contact lenses JOHNSON & JOHNSON VISION CARE INC. (US) 2011-11-08 US disclosed
US-20110077322-A1 Silicone Prepolymer Solutions TORAY INDUSTRIES, INC. (JP) 2011-03-31 US disclosed
US-7897654-B2 Silicone prepolymer solutions JOHNSON & JOHNSON VISION CARE INC. (US) 2011-03-01 US disclosed
US-20090171026-A1 SILICONE PREPOLYMER SOLUTIONS JOHNSON & JOHNSON VISION CARE, INC. 2009-07-02 US disclosed
US-20090005528-A1 SOLUBLE SILICONE PREPOLYMERS JOHNSON & JOHNSON VISION CARE, INC. 2009-01-01 US disclosed
US-20080004401-A1 SILOXANYL MATERIALS FOR MOLDED PLASTICS JOHNSON & JOHNSON VISION CARE, INC. 2008-01-03 US disclosed
US-20080004383-A1 ACRYLOYL MATERIALS FOR MOLDED PLASTICS TORAY INDUSTRIES, INC. (JP) 2008-01-03 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 (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-20090005528-A1 SOLUBLE SILICONE PREPOLYMERS NOS3, NOS2, PCNA TSHR 4182/4885HPGD 97/4885ALDH1A1 2292/4885
US-20080004383-A1 ACRYLOYL MATERIALS FOR MOLDED PLASTICS ACR, HAAO, PORCN TSHR 4861/4885HPGD 583/4885ALDH1A1 515/4885

“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.