SCHEMBL12429987

SCHEMBL12429987

C=C(C)C(=O)OCC(COCCC[Si](OCC)(OCC)OCC)OC(=O)NCCC[Si](OCC)(OCC)OCC

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.35
▸ TSHR P16473 3/20 0.35
▸ TLR2 O60603 4/20 0.34
▸ ACHE P22303 7/20 0.33
▸ MMP9 P14780 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ MMP14 P50281 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
SCHEMBL17449528 0.95 THRB (0.43) THRBTSHRTLR2ACHE
SCHEMBL13324456 0.93 TSHR (0.39) THRBTSHRTLR2ACHE
SCHEMBL17449527 0.89 THRB (0.36) THRBTSHRTLR2ACHE
SCHEMBL16804279 0.86 TSHR (0.36) TSHR
SCHEMBL17448868 0.85 THRB (0.42) THRBTSHRTLR2ACHE
SCHEMBL14368422 0.84 THRB (0.40) THRBTSHRTLR2
SCHEMBL22522331 0.82 ALDH1A1 (0.36) —
SCHEMBL19862506 0.82 TSHR (0.30) TSHR
SCHEMBL15779947 0.82 THRB (0.35) THRBTSHRTLR2ACHEMMP9
SCHEMBL23002886 0.81 TSHR (0.41) TSHRTLR2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748647-B2 Silane and silicic acid polycondensates with radicals containing branched-chain urethane, acid amide and/or carboxylic acid ester groups Fraunhofer—Gesellschaft zur Föderung der angewandten Forschung e.V. (DE) 2014-06-10 — — US disclosed
US-7977404-B2 A polysiloxane resin substituted with the urethane group ending with a straight-chain or branched organically polymerizable group with (meth)acrylate residues; and a nanoparticulate filler Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2011-07-12 — — US disclosed
US-7932414-B2 Silane and silicic acid polycondensates with radicals containing branched-chain urethane, acid amide and/or carboxylic acid ester groups FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2011-04-26 — — US disclosed
US-20110082250-A1 Silane and Silicic Acid Polycondensates with Radicals Containing Branched-Chain Urethane, Acid Amide and/or Carboxylic Acid Ester Groups FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E. V. (DE) 2011-04-07 — — US disclosed
US-20080187499-A1 Tough, Long-Lasting Dental Composites FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E. V. (DE) 2008-08-07 — — US disclosed
US-20070135572-A1 Silane and silicic acid polycondensates with radicals containing branched-chain urethane, acid amide and/or carboxylic acid ester groups FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. 2007-06-14 — — 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-20110082250-A1 Silane and Silicic Acid Polycondensates with Radicals Containing Branched-Chain Urethane, Acid Amide and/or Carboxylic Acid Ester Groups ORC3, BCAT1, MSR1 THRB 3405/4885TSHR 4007/4885TLR2 448/4885
US-20080187499-A1 Tough, Long-Lasting Dental Composites LBR, ITGB1, TAS2R10 THRB 137/4885TSHR 475/4885TLR2 1445/4885

“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.

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