SCHEMBL21404644

SCHEMBL21404644

C=C(C)C(=O)OCCNC(=O)OCCCCCCCCCCC[Si](OCC)(OCC)OCC

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ACHE P22303 13/20 0.47
THRB P10828 1/20 0.41
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL21404684 0.95 ACHE (0.50) TSHRACHETHRB
SCHEMBL21404678 0.95 ACHE (0.50) TSHRACHETHRB
SCHEMBL10752198 0.95 TSHR (0.45) TSHRACHETHRB
SCHEMBL21404622 0.94 THRB (0.48) TSHRACHETHRBPOLBAPEX1
SCHEMBL21404645 0.94 THRB (0.48) TSHRACHETHRBPOLBAPEX1
SCHEMBL21404651 0.94 THRB (0.48) TSHRACHETHRBPOLBAPEX1
SCHEMBL21404633 0.94 THRB (0.48) TSHRACHETHRBPOLBAPEX1
SCHEMBL21404721 0.94 THRB (0.48) TSHRACHETHRBPOLBAPEX1
SCHEMBL5925097 0.90 ACHE (0.45) TSHRACHETHRB
SCHEMBL16223361 0.89 TSHR (0.62) TSHRACHETHRBPOLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4717249-A1 DENTAL COMPOSITION Shofu Inc. (JP) 2026-04-01 EP disclosed
US-20260083642-A1 DENTAL COMPOSITION SHOFU INC (JP) 2026-03-26 US disclosed
CN-112771057-B Free radical polymerizable silane coupling compound with urethane bond based on diisocyanate 株式会社松风 2024-12-20 CN disclosed
US-12152045-B2 Silane coupling compounds and medical and/or dental curable compositions comprising the same KABUSHIKI KAISHA SHOFU (JP) 2024-11-26 US disclosed
US-11866590-B2 Diisocyanate-based radical polymerizable silane coupling compound having an urethane bond KABUSHIKI KAISHA SHOFU (JP) 2024-01-09 US disclosed
US-20220387264-A1 DENTAL PHOTOCURABLE COMPOSITION EXCELLENT IN STORAGE STABILITY SHOFU INC. (JP) 2022-12-08 US disclosed
US-20220387264-A1 DENTAL PHOTOCURABLE COMPOSITION EXCELLENT IN STORAGE STABILITY SHOFU INC. (JP) 2022-12-08 US disclosed
EP-4062893-A1 DENTAL PHOTOCURABLE COMPOSITION EXCELLENT IN STORAGE STABILITY Shofu Inc. (JP) 2022-09-28 EP disclosed
US-20210395532-A1 DIISOCYANATE-BASED RADICAL POLYMERIZABLE SILANE COUPLING COMPOUND HAVING AN URETHANE BOND KABUSHIKI KAISHA SHOFU (JP) 2021-12-23 US disclosed
US-20210395532-A1 DIISOCYANATE-BASED RADICAL POLYMERIZABLE SILANE COUPLING COMPOUND HAVING AN URETHANE BOND KABUSHIKI KAISHA SHOFU (JP) 2021-12-23 US disclosed
CN-112771057-A Diisocyanate-based radical-polymerizable silane coupling compound having urethane bond 株式会社松风 2021-05-07 CN disclosed
US-20210122770-A1 SILANE COUPLING COMPOUNDS AND MEDICAL AND/OR DENTAL CURABLE COMPOSITIONS COMPRISING THE SAME KABUSHIKI KAISHA SHOFU (JP) 2021-04-29 US disclosed
US-20210122770-A1 SILANE COUPLING COMPOUNDS AND MEDICAL AND/OR DENTAL CURABLE COMPOSITIONS COMPRISING THE SAME KABUSHIKI KAISHA SHOFU (JP) 2021-04-29 US disclosed
US-10975229-B2 Silane coupling compounds and medical and/or dental curable compositions comprising the same KABUSHIKI KAISHA SHOFU (JP) 2021-04-13 US disclosed
US-10975229-B2 Silane coupling compounds and medical and/or dental curable compositions comprising the same KABUSHIKI KAISHA SHOFU (JP) 2021-04-13 US disclosed
US-20190300552-A1 SILANE COUPLING COMPOUNDS AND MEDICAL AND/OR DENTAL CURABLE COMPOSITIONS COMPRISING THE SAME KABUSHIKI KAISHA SHOFU (JP) 2019-10-03 US disclosed
US-20190300552-A1 SILANE COUPLING COMPOUNDS AND MEDICAL AND/OR DENTAL CURABLE COMPOSITIONS COMPRISING THE SAME KABUSHIKI KAISHA SHOFU (JP) 2019-10-03 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 (8 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-20220387264-A1 DENTAL PHOTOCURABLE COMPOSITION EXCELLENT IN STORAGE STABILITY H1-0, POLA1, H1-2 TSHR 3238/4885ACHE 2003/4885THRB 3906/4885
US-20210122770-A1 SILANE COUPLING COMPOUNDS AND MEDICAL AND/OR DENTAL CURABLE COMPOSITIONS COMPRISING THE SAME SMCHD1, CAD, EPM2A TSHR 2902/4885ACHE 3391/4885THRB 3383/4885
US-11866590-B2 Diisocyanate-based radical polymerizable silane coupling compound having an urethane bond CAD, DCLRE1A, STIM1 TSHR 4002/4885ACHE 2993/4885THRB 3954/4885
US-10975229-B2 Silane coupling compounds and medical and/or dental curable compositions comprising the same SMCHD1, CAD, EPM2A TSHR 2902/4885ACHE 3391/4885THRB 3383/4885
US-12152045-B2 Silane coupling compounds and medical and/or dental curable compositions comprising the same SMCHD1, CAD, EPM2A TSHR 2902/4885ACHE 3391/4885THRB 3383/4885
US-20190300552-A1 SILANE COUPLING COMPOUNDS AND MEDICAL AND/OR DENTAL CURABLE COMPOSITIONS COMPRISING THE SAME SMCHD1, CAD, EPM2A TSHR 2902/4885ACHE 3391/4885THRB 3383/4885
US-20210395532-A1 DIISOCYANATE-BASED RADICAL POLYMERIZABLE SILANE COUPLING COMPOUND HAVING AN URETHANE BOND CAD, DCLRE1A, STIM1 TSHR 4002/4885ACHE 2993/4885THRB 3954/4885
US-20260083642-A1 DENTAL COMPOSITION TAS2R42, COL2A1, TAS2R1 TSHR 1588/4885ACHE 4474/4885THRB 1557/4885

“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.