SCHEMBL21404625

SCHEMBL21404625

C=C(C)C(=O)OCCNC(=O)OCCOCCOCCO

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.51
ACHE P22303 12/20 0.45
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3821239 1.00 THRB (0.51) THRBACHETSHRLMNASMN1; SMN2
SCHEMBL21404666 0.98 THRB (0.53) THRBACHETSHRLMNASMN1; SMN2
SCHEMBL21404715 0.98 THRB (0.53) THRBACHETSHRLMNASMN1; SMN2
SCHEMBL2407776 0.94 THRB (0.58) THRBACHETSHRLMNASMN1; SMN2
SCHEMBL13872027 0.94 THRB (0.58) THRBACHETSHRLMNASMN1; SMN2
SCHEMBL22035555 0.92 THRB (0.59) THRBACHETSHRLMNASMN1; SMN2
SCHEMBL10216111 0.91 ACHE (0.54) THRBACHETSHRCHRNB2CHRNB4
SCHEMBL27441392 0.89 THRB (0.53) THRBACHETSHRLMNASMN1; SMN2
SCHEMBL13872030 0.89 THRB (0.53) THRBACHETSHR
SCHEMBL2403793 0.89 THRB (0.53) THRBACHETSHR

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 5 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
CN-110317226-B Silane coupling compounds and curable dental compositions containing the same 株式会社松风 2023-12-19 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-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

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 THRB 3383/4885ACHE 3391/4885TSHR 2902/4885
US-10975229-B2 Silane coupling compounds and medical and/or dental curable compositions comprising the same SMCHD1, CAD, EPM2A THRB 3383/4885ACHE 3391/4885TSHR 2902/4885
US-12152045-B2 Silane coupling compounds and medical and/or dental curable compositions comprising the same SMCHD1, CAD, EPM2A THRB 3383/4885ACHE 3391/4885TSHR 2902/4885
US-20190300552-A1 SILANE COUPLING COMPOUNDS AND MEDICAL AND/OR DENTAL CURABLE COMPOSITIONS COMPRISING THE SAME SMCHD1, CAD, EPM2A THRB 3383/4885ACHE 3391/4885TSHR 2902/4885

“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.