SCHEMBL21404729

SCHEMBL21404729

C=CCCCCCCCCCOC(=O)NCCOC(=O)C(=C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ACHE P22303 12/20 0.46
EPHX2 P34913 2/20 0.43
HRH4 Q9H3N8 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL21404627 0.94 ACHE (0.50) TSHRACHEEPHX2HRH4HRH3
SCHEMBL21404693 0.94 ACHE (0.50) TSHRACHEEPHX2HRH4HRH3
SCHEMBL21404670 0.93 TSHR (0.47) TSHRACHEEPHX2HRH4HRH3
SCHEMBL21404664 0.93 TSHR (0.47) TSHRACHEEPHX2HRH4HRH3
SCHEMBL21404692 0.93 TSHR (0.47) TSHRACHEEPHX2HRH4HRH3
SCHEMBL275243 0.90 TSHR (0.61) TSHRACHEPOLBAPEX1HTT
SCHEMBL10057618 0.90 TSHR (0.61) TSHRACHEPOLBAPEX1HTT
SCHEMBL31312824 0.88 THRB (0.41) TSHRACHEHRH4HRH3
SCHEMBL14368843 0.88 TSHR (0.58) TSHRACHEPOLBAPEX1HTT
SCHEMBL21404638 0.88 THRB (0.50) TSHRACHEHRH4HRH3

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 4 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-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 TSHR 2902/4885ACHE 3391/4885EPHX2 727/4885
US-10975229-B2 Silane coupling compounds and medical and/or dental curable compositions comprising the same SMCHD1, CAD, EPM2A TSHR 2902/4885ACHE 3391/4885EPHX2 727/4885
US-12152045-B2 Silane coupling compounds and medical and/or dental curable compositions comprising the same SMCHD1, CAD, EPM2A TSHR 2902/4885ACHE 3391/4885EPHX2 727/4885
US-20190300552-A1 SILANE COUPLING COMPOUNDS AND MEDICAL AND/OR DENTAL CURABLE COMPOSITIONS COMPRISING THE SAME SMCHD1, CAD, EPM2A TSHR 2902/4885ACHE 3391/4885EPHX2 727/4885

“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.