SCHEMBL23002886

SCHEMBL23002886

C=C(C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)NCCC[Si](OC)(OC)OC

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.33
▸ TLR2 O60603 3/20 0.31
▸ ACHE P22303 1/20 0.30
▸ EPHX1 P07099 1/20 0.30
▸ ALOX15 P16050 1/20 0.30

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
SCHEMBL16920091 0.92 TSHR (0.35) TSHR
SCHEMBL23002895 0.88 TSHR (0.46) TSHRALDH1A1ALOX15
SCHEMBL13324456 0.87 TSHR (0.39) TSHRTLR2ACHEALOX15
SCHEMBL274739 0.86 TSHR (0.47) TSHRTLR2ACHEEPHX1
SCHEMBL23031224 0.85 TSHR (0.44) TSHRALDH1A1
SCHEMBL13872066 0.83 ACHE (0.47) TSHRACHEALOX15
SCHEMBL14529602 0.83 TSHR (0.45) TSHRACHEALOX15
SCHEMBL16474278 0.83 TSHR (0.40) TSHRALDH1A1TLR2
SCHEMBL14654921 0.82 TSHR (0.44) TSHRTLR2ACHEEPHX1
SCHEMBL14016494 0.82 TSHR (0.41) TSHRALDH1A1ACHEEPHX1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11992538-B2 Polymerizable dental composition based on condensed silanes VOCO GMBH (DE) 2024-05-28 — — US disclosed
US-20210052469-A1 POLYMERIZABLE DENTAL COMPOSITION BASED ON CONDENSED SILANES VOCO GMBH (DE) 2021-02-25 — — 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 (2 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-11992538-B2 Polymerizable dental composition based on condensed silanes NCAPH, RCC1, NCAPD2 TSHR 4596/4885ALDH1A1 1481/4885TLR2 2067/4885
US-20210052469-A1 POLYMERIZABLE DENTAL COMPOSITION BASED ON CONDENSED SILANES NCAPH, RCC1, NCAPD2 TSHR 4596/4885ALDH1A1 1481/4885TLR2 2067/4885

“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.

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