SCHEMBL21671036

SCHEMBL21671036

C=C(C)C(=O)OCCNC(=O)OCC(O)COC(=O)NCCOC(=O)C(=C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
THRB P10828 1/20 0.42
ACHE P22303 8/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL24354119 0.93 TSHR (0.42) TSHRTHRBACHEALDH1A1LMNA
SCHEMBL24354124 0.92 THRB (0.50) TSHRTHRBACHEALDH1A1LMNA
SCHEMBL275070 0.92 TSHR (0.41) TSHRTHRBACHEALDH1A1LMNA
SCHEMBL9759072 0.89 TSHR (0.43) TSHRTHRBACHEALDH1A1LMNA
SCHEMBL23409634 0.87 TSHR (0.62) TSHRTHRBACHEALDH1A1LMNA
SCHEMBL24354111 0.87 THRB (0.36) THRB
SCHEMBL21672075 0.87 TLR2 (0.37) TSHRTHRBACHEMEN1KMT2A
SCHEMBL21671038 0.86 THRB (0.44) TSHRTHRBACHEALDH1A1LMNA
SCHEMBL10324992 0.86 TSHR (0.47) TSHRTHRBACHEALDH1A1
SCHEMBL14327215 0.86 TSHR (0.43) TSHRTHRBACHEALDH1A1LMNA

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 4 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
US-20210338537-A1 MONOMER COMPOSITION FOR DENTAL MATERIALS, COMPOSITION FOR DENTAL MATERIALS, AND DENTAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2021-11-04 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 (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-11311462-B2 Adhesive monomers for dental materials COL1A1, CDH1, GJA1 TSHR 4250/4885THRB 1333/4885ACHE 1757/4885
US-20210338537-A1 MONOMER COMPOSITION FOR DENTAL MATERIALS, COMPOSITION FOR DENTAL MATERIALS, AND DENTAL MATERIAL RAD51, AP1M1, MNS1 TSHR 4111/4885THRB 2360/4885ACHE 4602/4885

“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.