SCHEMBL23975544

SCHEMBL23975544

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

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.60
TSHR P16473 6/20 0.45
ALDH1A1 P00352 4/20 0.45
TP53 P04637 3/20 0.45
HIF1A Q16665 3/20 0.45
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.41
ACHE P22303 8/20 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
SCHEMBL23741915 0.93 ALDH1A1 (0.53) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL12881302 0.92 THRB (0.51) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL16546274 0.87 THRB (0.48) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL23741843 0.86 THRB (0.46) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL18393300 0.85 THRB (0.54) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL6251603 0.84 THRB (0.44) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL17770846 0.84 THRB (0.44) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL10005502 0.84 THRB (0.46) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL13415076 0.83 THRB (0.44) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL10033561 0.83 THRB (0.44) THRBTSHRALDH1A1TP53HIF1A

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-20210338537-A1 MONOMER COMPOSITION FOR DENTAL MATERIALS, COMPOSITION FOR DENTAL MATERIALS, AND DENTAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2021-11-04 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-20210338537-A1 MONOMER COMPOSITION FOR DENTAL MATERIALS, COMPOSITION FOR DENTAL MATERIALS, AND DENTAL MATERIAL RAD51, AP1M1, MNS1 THRB 2360/4885TSHR 4111/4885ALDH1A1 1406/4885

“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.