SCHEMBL26645765

SCHEMBL26645765

C/C=C/CC(CC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.49
GRIK1 P39086 5/20 0.47
GRIK2 Q13002 5/20 0.47
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.36
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
USP2 O75604 2/20 0.30

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
SCHEMBL23771465 1.00 CTSK (0.49) CTSKGRIK1GRIK2HDAC3HDAC1
SCHEMBL22035774 0.83 CTSK (0.42) CTSKGRIK1GRIK2HDAC3HDAC1
SCHEMBL4839844 0.82 MEN1 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2189972 0.81 GRIK1 (0.43) CTSKGRIK1GRIK2HDAC3HDAC1
SCHEMBL7052679 0.81 GRIK1 (0.43) CTSKGRIK1GRIK2HDAC3HDAC1
SCHEMBL2189967 0.81 GRIK1 (0.43) CTSKGRIK1GRIK2HDAC3HDAC1
SCHEMBL4755353 0.77 CA2 (0.45) CTSKHDAC3HDAC1HDAC2HDAC8
SCHEMBL12268130 0.77 CA2 (0.45) CTSKHDAC3HDAC1HDAC2HDAC8
SCHEMBL12047679 0.77 MEN1 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL13351667 0.76 GRIK1 (0.58) CTSKGRIK1GRIK2HDAC1HDAC2

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 CTSK 1186/4885GRIK1 2666/4885GRIK2 4214/4885

“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.