SCHEMBL23031324

SCHEMBL23031324

C=C(C)C(=O)OCCNC(=O)NC[Si](OC)(OC)OC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 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
SCHEMBL16985047 0.87 TSHR (0.41) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2195083 0.85 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL23031113 0.83 THRB (0.41) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10093567 0.80 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13590585 0.80 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL14582190 0.80 TSHR (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL22493846 0.80 THRB (0.34) THRBTSHRALDH1A1
SCHEMBL19951569 0.80 THRB (0.43) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12511119 0.79 TSHR (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8424339 0.79 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20210052469-A1 POLYMERIZABLE DENTAL COMPOSITION BASED ON CONDENSED SILANES NCAPH, RCC1, NCAPD2 THRB 4522/4885TSHR 4596/4885ALDH1A1 1481/4885

“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.