SCHEMBL21671280

SCHEMBL21671280

C=C(C)C(=O)OCCNC(=O)OCC(COCC(COC(=O)NCCOC(=O)C(=C)C)OP(=O)(O)O)OC(=O)NCCOC(=O)C(=C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 6/20 0.41
THRB P10828 1/20 0.34
TSHR P16473 3/20 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
SCHEMBL21671278 0.92 TSHR (0.38) TLR2THRBTSHR
SCHEMBL21671177 0.88 THRB (0.43) TLR2THRBTSHR
SCHEMBL23976089 0.87 TSHR (0.42) TLR2THRBTSHR
SCHEMBL14368850 0.85 TSHR (0.45) TLR2THRBTSHR
SCHEMBL21672075 0.85 TLR2 (0.37) TLR2THRBTSHR
SCHEMBL21672065 0.84 TSHR (0.38) TLR2THRBTSHR
SCHEMBL14368845 0.83 TSHR (0.47) TLR2THRBTSHR
SCHEMBL21671162 0.81 TLR2 (0.35) TLR2THRBTSHR
SCHEMBL27420605 0.81 TSHR (0.33) TLR2THRBTSHR
SCHEMBL15297233 0.80 TSHR (0.39) TLR2THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11311462-B2 Adhesive monomers for dental materials MITSUI CHEMICALS, INC. (JP) 2022-04-26 US disclosed
EP-3603606-A1 ADHESIVE MONOMER FOR DENTAL MATERIAL Mitsui Chemicals, Inc. (JP) 2020-02-05 EP disclosed
EP-3604318-A1 PHOSPHORUS-CONTAINING COMPOUND Mitsui Chemicals, Inc. (JP) 2020-02-05 EP 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-11311462-B2 Adhesive monomers for dental materials COL1A1, CDH1, GJA1 TLR2 4148/4885THRB 1333/4885TSHR 4250/4885

“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.