SCHEMBL21404662

SCHEMBL21404662

C=C(C)C(=O)OCCNC(=O)OCCCCCCCCCCOC(=O)NCCC[Si](OC)(OC)OC

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.48
TSHR P16473 2/20 0.48
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.36

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
SCHEMBL21424828 1.00 ACHE (0.48) ACHETSHRPOLBAPEX1HTT
SCHEMBL21424827 1.00 ACHE (0.48) ACHETSHRPOLBAPEX1HTT
SCHEMBL21424847 1.00 ACHE (0.48) ACHETSHRPOLBAPEX1HTT
SCHEMBL30936751 0.97 ACHE (0.50) ACHETSHRPOLBAPEX1HTT
SCHEMBL15834870 0.96 ACHE (0.47) ACHETSHRPOLBAPEX1HTT
SCHEMBL21424830 0.94 ACHE (0.44) ACHETSHRPOLBAPEX1HTT
SCHEMBL21404621 0.94 ACHE (0.44) ACHETSHRPOLBAPEX1HTT
SCHEMBL21424791 0.94 ACHE (0.44) ACHETSHRPOLBAPEX1HTT
SCHEMBL24121558 0.93 ACHE (0.49) ACHETSHRPOLBAPEX1HTT
SCHEMBL23002884 0.93 TSHR (0.44) ACHETSHRPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20210122770-A1 SILANE COUPLING COMPOUNDS AND MEDICAL AND/OR DENTAL CURABLE COMPOSITIONS COMPRISING THE SAME SMCHD1, CAD, EPM2A ACHE 3391/4885TSHR 2902/4885POLB 2608/4885
US-10975229-B2 Silane coupling compounds and medical and/or dental curable compositions comprising the same SMCHD1, CAD, EPM2A ACHE 3391/4885TSHR 2902/4885POLB 2608/4885
US-12152045-B2 Silane coupling compounds and medical and/or dental curable compositions comprising the same SMCHD1, CAD, EPM2A ACHE 3391/4885TSHR 2902/4885POLB 2608/4885
US-20190300552-A1 SILANE COUPLING COMPOUNDS AND MEDICAL AND/OR DENTAL CURABLE COMPOSITIONS COMPRISING THE SAME SMCHD1, CAD, EPM2A ACHE 3391/4885TSHR 2902/4885POLB 2608/4885

“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.