SCHEMBL23031291

SCHEMBL23031291

C=CCNC(=O)OCCOC(=O)C(=C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
TSHR P16473 4/20 0.43
ACHE P22303 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.34
FAAH O00519 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 2/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 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
SCHEMBL23111386 0.85 TSHR (0.46) TSHRACHEALDH1A1SMN1; SMN2MAPT
SCHEMBL10060665 0.83 THRB (0.46) THRBTSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL13795243 0.82 THRB (0.36) THRBTSHRACHEALDH1A1SMN1; SMN2
SCHEMBL30488753 0.82 THRB (0.55) THRBTSHRACHEALDH1A1
SCHEMBL19885344 0.82 THRB (0.55) THRBTSHRACHEALDH1A1SMN1; SMN2
SCHEMBL10325251 0.81 THRB (0.37) THRBTSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL890339 0.80 THRB (0.58) THRBTSHRACHEALDH1A1KMT2A
SCHEMBL13872030 0.80 THRB (0.53) THRBTSHRACHEALDH1A1
SCHEMBL2403793 0.80 THRB (0.53) THRBTSHRACHEALDH1A1
SCHEMBL23031233 0.80 THRB (0.42) THRBTSHRALDH1A1SMN1; SMN2MAPT

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 4596/4885ACHE 3835/4885

“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.