SCHEMBL435744

SCHEMBL435744

C=CC(=O)OC(C)[Si]1(C)CCC(C)(c2ccccc2)O[Si]1(C)C

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TET3 O43151 1/20 0.30
KMT2A Q03164 1/20 0.30
FBXL19 Q6PCT2 1/20 0.30
CXXC5 Q7LFL8 1/20 0.30
TET1 Q8NFU7 1/20 0.30
KDM2B Q8NHM5 1/20 0.30
CXXC4 Q9H2H0 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30
DRD2 P14416 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL8767688 0.86 ALDH1A1 (0.34) ALDH1A1APOBEC3AAPOBEC3GKMT2ADRD2
SCHEMBL8461705 0.77 ALDH1A1 (0.34) ALDH1A1DRD2SIGMAR1
SCHEMBL9767769 0.75
SCHEMBL8733746 0.70 HSD11B1 (0.33)
SCHEMBL7519217 0.68 TSHR (0.30)
SCHEMBL18126 0.68 HSD11B1 (0.36) DRD2SIGMAR1
SCHEMBL10885939 0.67
SCHEMBL28555543 0.66 ALDH1A1 (0.37) ALDH1A1APOBEC3AAPOBEC3GTET3KMT2A
SCHEMBL10602783 0.65
SCHEMBL6666105 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101698-B2 Surface active prepolymers with both fluorine-containing groups and hydrophilic groups BAUSCH & LOMB INCORPORATED (US) 2012-01-24 US claimed
US-8071704-B2 Prepolymerizable surface active monomers with both fluorine-containing groups and hydrophilic groups BAUSCH & LOMB INCORPORATED (US) 2011-12-06 US claimed
US-20110172374-A1 NOVEL SURFACE ACTIVE PREPOLYMERS WITH BOTH FLUORINE-CONTAINING GROUPS AND HYDROPHILIC GROUPS BAUSCH HEALTH HOLDCO LIMITED (IE) 2011-07-14 US claimed
EP-2162474-B1 NOVEL SURFACE ACTIVE PREPOLYMERS WITH BOTH FLUORINE CONTAINING GROUPS AND HYDROPHILIC GROUPS BAUSCH & LOMB (US) 2011-01-19 EP claimed
EP-2162474-A1 NOVEL SURFACE ACTIVE PREPOLYMERS WITH BOTH FLUORINE CONTAINING GROUPS AND HYDROPHILIC GROUPS Bausch & Lomb Incorporated (US) 2010-03-17 EP claimed
US-20090092655-A1 NOVEL PREPOLYMERIZABLE SURFACE ACTIVE MONOMERS WITH BOTH FLUORINE-CONTAINING GROUPS AND HYDROPHILIC GROUPS SOLTA MEDICAL DUTCH HOLDINGS B.V. (NL) 2009-04-09 US claimed
WO-2009045886-A1 NOVEL POLYMERIZABLE SURFACE ACTIVE MONOMERS WITH BOTH FLUORINE-CONTAINING GROUPS AND HYDROPHILIC GROUPS BAUSCH & LOMB INCORPORATED (US) 2009-04-09 WO claimed
US-20090012250-A1 NOVEL POLYMERIZABLE SURFACE ACTIVE MONOMERS WITH BOTH FLUORINE-CONTAINING GROUPS AND HYDROPHILIC GROUPS BAUSCH & LOMB INCORPORATED 2009-01-08 US claimed
WO-2009005955-A1 NOVEL SURFACE ACTIVE PREPOLYMERS WITH BOTH FLUORINE CONTAINING GROUPS AND HYDROPHILIC GROUPS BAUSCH & LOMB INCORPORATED (US) 2009-01-08 WO claimed
WO-2009005954-A2 NOVEL POLYMERIZABLE SURFACE ACTIVE MONOMERS WITH BOTH FLUORINE-CONTAINING GROUPS AND HYDROPHILIC GROUPS BAUSCH & LOMB INCORPORATED (US) 2009-01-08 WO claimed
US-20090012249-A1 NOVEL SURFACE ACTIVE PREPOLYMERS WITH BOTH FLUORINE-CONTAINING GROUPS AND HYDROPHILIC GROUPS BAUSCH HEALTH HOLDCO LIMITED (IE) 2009-01-08 US claimed
US-5486579-A VINYLPYRROLIDONE, DIMETHYLACRYLAMIDE BAUSCH & LOMB INCORPORATED (US) 1996-01-23 US claimed
US-5451617-A Wettable silicone hydrogel compositions and methods for their manufacture BAUSCH & LOMB INCORPORATED (US) 1995-09-19 US claimed
US-5387632-A A contact lens is made of a hydrolyzed addition-condensation copolymers consisting the precuser of an acrylic-capped polysiloxanes, a bulky polysiloxanylalkyl (meth)acrylate and hydrophilic monomers; oxygen permeability; medical devices BAUSCH & LOMB INCORPORATED (US) 1995-02-07 US claimed
US-5374662-A Contact lenses having excellent wetting; nonhydrolyzing; prosthetics; medical equipment; biocompatibility BAUSCH & LOMB INCORPORATED (US) 1994-12-20 US claimed
US-5358995-A Containing acrylic endcapped polysiloxane and a polysiloxanylalkyl (meth)acrylate BAUSCH & LOMB INCORPORATED (US) 1994-10-25 US claimed
US-20210317297-A1 METHODS AND COMPOSITION OF A DENTAL MODEL FOR THE MANUFACTURE OF ORTHODONTIC APPLIANCES WITHOUT THE USE OF SEPARATOR STRUCTO PTE LTD (SG) 2021-10-14 US disclosed
EP-3820398-A1 METHODS AND COMPOSITION OF A DENTAL MODEL FOR THE MANUFACTURE OF ORTHODONTIC APPLIANCES WITHOUT THE USE OF SEPARATOR Structo Pte. Ltd. (SG) 2021-05-19 EP disclosed
US-4182822-A VINYL AMIDES, ESTERS OF SILANE COMPOUNDS, CONTACT LENSES CHANG SING HSIUNG 1980-01-08 US disclosed
US-4120570-A POLYSILOXANYLALKYL ACRYLATE OR METHACRYLATE AND AN ALKYL ACRYLATE OR METHACRYLATE SYNTEX (U.S.A.) INC. (US) 1978-10-17 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-20090092655-A1 NOVEL PREPOLYMERIZABLE SURFACE ACTIVE MONOMERS WITH BOTH FLUORINE-CONTAINING GROUPS AND HYDROPHILIC GROUPS NOTUM, ITK, MFAP1 ALDH1A1 316/4885APOBEC3A 2729/4885APOBEC3G 3057/4885

“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.