SCHEMBL22493849

SCHEMBL22493849

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
TSHR P16473 4/20 0.42
EPHX1 P07099 6/20 0.37
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EPHX2 P34913 1/20 0.31
ACHE P22303 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL16985069 0.96 THRB (0.44) THRBTSHREPHX1POLBAPEX1
SCHEMBL20149751 0.91 ACHE (0.41) THRBTSHREPHX2ACHE
SCHEMBL23031132 0.85 THRB (0.39) THRBTSHRPOLBAPEX1HTT
SCHEMBL23031230 0.85 THRB (0.39) THRBTSHRCA12CA1CA2
SCHEMBL21404678 0.84 ACHE (0.50) THRBTSHREPHX2ACHE
SCHEMBL21404644 0.84 TSHR (0.50) THRBTSHRPOLBAPEX1HTT
SCHEMBL21404684 0.84 ACHE (0.50) THRBTSHREPHX2ACHE
SCHEMBL2343557 0.84 TSHR (0.59) THRBTSHRPOLBAPEX1HTT
SCHEMBL12511119 0.84 TSHR (0.53) THRBTSHREPHX1POLBAPEX1
SCHEMBL13589405 0.84 TSHR (0.53) THRBTSHREPHX1POLBAPEX1

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
EP-4501303-A2 INORGANIC DENTAL FILLERS INCLUDING A SILANE TREATED SURFACE Solventum Intellectual Properties Company (US) 2025-02-05 EP disclosed
CN-111565700-B Inorganic dental filler comprising silane treated surfaces 3M创新有限公司 2023-06-09 CN disclosed
EP-3727276-A2 INORGANIC DENTAL FILLERS INCLUDING A SILANE TREATED SURFACE 3M Innovative Properties Company (US) 2020-10-28 EP disclosed
US-20200315924-A1 INORGANIC DENTAL FILLERS INCLUDING A SILANE TREATED SURFACE SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2020-10-08 US disclosed
US-20200315924-A1 INORGANIC DENTAL FILLERS INCLUDING A SILANE TREATED SURFACE SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2020-10-08 US disclosed
CN-111565700-A Inorganic dental fillers comprising silane-treated surfaces 3M创新有限公司 2020-08-21 CN 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 (1 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-20200315924-A1 INORGANIC DENTAL FILLERS INCLUDING A SILANE TREATED SURFACE MSR1, H1-2, H1-3 THRB 2072/4885TSHR 238/4885EPHX1 1584/4885

“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.