SCHEMBL4301554

SCHEMBL4301554

CC(C)(C)OC(=O)NC(CCCO)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.59
HDAC4 P56524 5/20 0.59
HDAC8 Q9BY41 4/20 0.57
HDAC3 O15379 3/20 0.57
HDAC7 Q8WUI4 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC10 Q969S8 3/20 0.57
HDAC11 Q96DB2 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
HDAC9 Q9UKV0 3/20 0.57
HDAC5 Q9UQL6 3/20 0.57
CTSK P43235 5/20 0.50
CTSS P25774 2/20 0.50
CTSB P07858 1/20 0.50
SIRT5 Q9NXA8 1/20 0.49
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL4301545 1.00 HDAC1 (0.59) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL4166176 0.89 HDAC4 (0.57) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL4312734 0.87 HDAC1 (0.59) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL4312731 0.87 HDAC4 (0.54) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL30861281 0.86 HDAC4 (0.65) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL11036298 0.86 HDAC4 (0.53) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL29481024 0.80 SMN1; SMN2 (0.51) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL27613652 0.79 HDAC4 (0.61) HDAC1HDAC4HDAC8HDAC3HDAC7
SCHEMBL21715586 0.77 GABRB1 (0.48) CTSKCTSSCTSBGABRB1GABRB2
SCHEMBL6715868 0.77 CTSS (0.57) HDAC8CTSKCTSSCTSBGABRB1

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-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors JONES PHILIP 2009-02-26 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-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC5, HDAC1, HDAC11 HDAC1 2/4885HDAC4 4/4885HDAC8 10/4885

“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.