SCHEMBL22493858

SCHEMBL22493858

C=CC(=O)OCCNC(=O)NCC(C)(C)CC[Si](OC)(OC)OC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
CYP3A4 P08684 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.33

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
SCHEMBL22493846 0.82 THRB (0.34) TSHRALDH1A1THRB
SCHEMBL13197154 0.81 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5663537 0.76 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL22522317 0.75 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL25437489 0.75 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30537436 0.75 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12570601 0.74 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL20149753 0.73 TSHR (0.36) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL269965 0.73 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL13051497 0.72 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A

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 TSHR 238/4885HPGD 2659/4885ALDH1A1 2155/4885

“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.