SCHEMBL642805

SCHEMBL642805

C=C(C)C(=O)OCC(O)COC([SiH3])(O[Si](C)(C)C)O[Si](C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL27041073 0.82 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL29011415 0.81 TSHR (0.45) TSHRALDH1A1THRB
SCHEMBL29011419 0.78 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL9842186 0.78 TSHR (0.47) TSHRALDH1A1THRB
SCHEMBL331866 0.78 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL94906 0.78 TSHR (0.68) TSHRALDH1A1THRB
SCHEMBL29011432 0.77 TSHR (0.41) TSHRALDH1A1
SCHEMBL9788138 0.77 TSHR (0.53) TSHRALDH1A1THRB
SCHEMBL4073168 0.77 TSHR (0.53) TSHRALDH1A1THRB
SCHEMBL17374783 0.77 TSHR (0.38) TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053489-B2 Crosslink agents and dual radical cure polymer BAUSCH & LOMB INCORPORATED (US) 2011-11-08 US claimed
US-8252850-B2 Crosslink agents BAUSCH & LOMB INCORPORATED (US) 2012-08-28 US disclosed
US-8119753-B2 Silicone hydrogels with amino surface groups BAUSCH & LOMB INCORPORATED (US) 2012-02-21 US disclosed
US-8053489-B2 Crosslink agents and dual radical cure polymer BAUSCH & LOMB INCORPORATED (US) 2011-11-08 US disclosed
US-20110105779-A1 CROSSLINK AGENTS ORAPHARMA, INC. 2011-05-05 US disclosed
EP-2170966-B1 CROSSLINK AGENTS AND DUAL RADICAL CURE POLYMER BAUSCH & LOMB (US) 2011-03-23 EP disclosed
US-7901073-B2 Silicone hydrogel with composite hydrophilic and silicone polymers prepared with selective crosslink agents BAUSCH & LOMB INCORPORATED (US) 2011-03-08 US disclosed
US-7781554-B2 Polysiloxanes and polysiloxane prepolymers with vinyl or epoxy functionality BAUSCH & LOMB INCORPORATED (US) 2010-08-24 US disclosed
US-20090227804-A1 POLYSILOXANES AND POLYSILOXANE PREPOLYMERS WITH VINYL OR EPOXY FUNCTIONALITY PRECISION DERMATOLOGY, INC. 2009-09-10 US disclosed
US-20090103045-A1 SILICONE HYDROGELS WITH AMINO SURFACE GROUPS SALIX PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090023876-A1 Crosslink Agents and Dual Radical Cure Polymer MEDICIS PHARMACEUTICAL CORPORATION 2009-01-22 US disclosed
US-20090018233-A1 Crosslink Agents and Dual Radical Cure Polymer SOLTA MEDICAL, INC. 2009-01-15 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 (4 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-20110105779-A1 CROSSLINK AGENTS UACA, CRYAA, DCLRE1A TSHR 3185/4885ALDH1A1 2278/4885THRB 4732/4885
US-20090018233-A1 Crosslink Agents and Dual Radical Cure Polymer UACA, CRYAA, RAD51 TSHR 2555/4885ALDH1A1 1327/4885THRB 4577/4885
US-20090227804-A1 POLYSILOXANES AND POLYSILOXANE PREPOLYMERS WITH VINYL OR EPOXY FUNCTIONALITY MUS81, UTS2R, C1R TSHR 2214/4885ALDH1A1 2339/4885THRB 3182/4885
US-20090023876-A1 Crosslink Agents and Dual Radical Cure Polymer UACA, CRYAA, PCNA TSHR 2788/4885ALDH1A1 883/4885THRB 4718/4885

“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.