SCHEMBL26755156

SCHEMBL26755156

C/C=C/C[C@H](CC(C)=O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 11/20 0.56
GRIK2 Q13002 11/20 0.56
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
FOLH1 Q04609 2/20 0.34
CTSK P43235 2/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
LMNA P02545 1/20 0.31

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
SCHEMBL12501647 0.85 GRIK1 (0.58) GRIK1GRIK2TDP1FOLH1CTSK
SCHEMBL40728 0.85 GRIK1 (0.58) GRIK1GRIK2TDP1FOLH1CTSK
SCHEMBL13351667 0.85 GRIK1 (0.58) GRIK1GRIK2TDP1FOLH1CTSK
SCHEMBL591751 0.78 GRIK1 (0.60) GRIK1GRIK2TDP1FNTAFNTB
SCHEMBL591749 0.78 GRIK1 (0.60) GRIK1GRIK2TDP1FNTAFNTB
SCHEMBL13302483 0.78 GRIK1 (0.60) GRIK1GRIK2TDP1FNTAFNTB
SCHEMBL8519589 0.77 TDP1 (0.50) GRIK1GRIK2TDP1ALDH1A1FOLH1
SCHEMBL9049404 0.75 CHRM1 (0.60) GRIK1GRIK2TDP1FNTAFNTB
SCHEMBL7746600 0.75 GRIK1 (0.56) GRIK1GRIK2TDP1FNTAFNTB
SCHEMBL7746590 0.75 GRIK1 (0.56) GRIK1GRIK2TDP1FNTAFNTB

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-11813306-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders NOVARTIS AG (CH) 2023-11-14 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-11813306-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders PCSK9, PCSK7, PCSK6 GRIK1 2666/4885GRIK2 4214/4885TDP1 505/4885

“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.