SCHEMBL8238574

SCHEMBL8238574

CCOCC(C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 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
SCHEMBL2027230 0.83 HDAC6 (0.34) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL2027231 0.83 HDAC6 (0.34) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL16284723 0.81 HDAC6 (0.34) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL16284720 0.81 HDAC6 (0.36) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL16284721 0.78 CA1 (0.39) HDAC6HDAC1HDAC2NFKB1NFKB2
SCHEMBL27822328 0.77 HDAC6 (0.36) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL8341454 0.76 HDAC6 (0.35) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL4329499 0.75 ALDH1A1 (0.33)
SCHEMBL7996579 0.74 HDAC6 (0.34) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL8000626 0.74 HDAC6 (0.34) HDAC6HDAC1HDAC2CA1CA2

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-20090149505-A1 Metabotropic Glutamate Receptor-Potentiating Isoindolones ASTRAZENECA AB (SE) 2009-06-11 US disclosed
US-20090149505-A1 Metabotropic Glutamate Receptor-Potentiating Isoindolones ASTRAZENECA AB (SE) 2009-06-11 US disclosed
WO-2007095024-A1 METABOTROPIC GLUTAMATE RECEPTOR-POTENTIATING ΓSOINDOLONES ASTRAZENECA AB (SE) 2007-08-23 WO 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-20090149505-A1 Metabotropic Glutamate Receptor-Potentiating Isoindolones GRM1, GRIN1, GRM3 HDAC6 1985/4885HDAC1 2194/4885HDAC2 2360/4885

“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.