SCHEMBL20089019

SCHEMBL20089019

C=C(C)C(=O)OCCOCCOC(=O)NCC

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.62
TSHR P16473 4/20 0.47
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
ACHE P22303 8/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL890339 0.95 THRB (0.58) THRBTSHRCHRNB2CHRNB4CHRNA3
SCHEMBL13955819 0.90 THRB (0.51) THRBTSHRCHRNB2CHRNB4CHRNA3
SCHEMBL18123490 0.88 TSHR (0.62) THRBTSHRCHRNB2CHRNB4CHRNA3
SCHEMBL22035555 0.88 THRB (0.59) THRBTSHRACHEMEN1KMT2A
SCHEMBL13872027 0.86 THRB (0.58) THRBTSHRACHEMEN1KMT2A
SCHEMBL2407776 0.86 THRB (0.58) THRBTSHRACHEMEN1KMT2A
SCHEMBL26582579 0.85 THRB (0.57) THRBTSHRACHE
SCHEMBL14904497 0.84 THRB (0.70) THRBTSHRACHEMEN1KMT2A
SCHEMBL29700318 0.84 THRB (0.56) THRBTSHRACHE
SCHEMBL13309598 0.83 THRB (0.64) THRBTSHRACHEMEN1KMT2A

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-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers MITSUI CHEMICALS, INC. (JP) 2023-10-17 US disclosed
US-20180110683-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS MITSUI CHEMICALS, INC. (JP) 2018-04-26 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-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers PAM, CAD, FHIT THRB 873/4885TSHR 2948/4885CHRNB2 2841/4885
US-20180110683-A1 DENTAL POLYMERIZABLE MONOMERS, COMPOSITIONS, ADHESIVE DENTAL MATERIALS AND KITS HRH3, HRH1, HRH2 THRB 639/4885TSHR 861/4885CHRNB2 1070/4885

“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.