SCHEMBL13039732

SCHEMBL13039732

O=C(CCCCNC(=O)c1ccc(N2CCOCC2)cc1)NO

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.68
HDAC1 Q13547 15/20 0.67
HDAC3 O15379 13/20 0.67
HDAC2 Q92769 11/20 0.62
HDAC8 Q9BY41 10/20 0.62
HDAC4 P56524 9/20 0.62
HDAC7 Q8WUI4 9/20 0.62
HDAC10 Q969S8 9/20 0.62
HDAC11 Q96DB2 9/20 0.62
HDAC9 Q9UKV0 9/20 0.62
HDAC5 Q9UQL6 9/20 0.62
LTA4H P09960 1/20 0.55

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
SCHEMBL13039740 0.99 HDAC6 (0.70) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL13039738 0.89 HDAC1 (0.70) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL13039733 0.89 HDAC1 (0.70) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL13039739 0.88 HDAC1 (0.73) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL1520902 0.83 HDAC8 (0.78) HDAC1HDAC8HDAC7
SCHEMBL2227727 0.81 HDAC6 (1.00) HDAC6
SCHEMBL1938432 0.81 HDAC3 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL19835907 0.80 GAA (0.60) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL14880168 0.78 HDAC6 (0.82) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL7740668 0.77 HDAC6 (0.55) HDAC6HDAC1HDAC3HDAC2HDAC8

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-20100278782-A1 DIFFERENTIATION OF RAT LIVER EPITHELIAL CELLS INTO HEPATOCYTE-LIKE CELLS VRIJE UNIVERSITEIT BRUSSEL (BE) 2010-11-04 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-20100278782-A1 DIFFERENTIATION OF RAT LIVER EPITHELIAL CELLS INTO HEPATOCYTE-LIKE CELLS MYADM, GLS2, HNF4A HDAC6 4344/4885HDAC1 4216/4885HDAC3 2847/4885

“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.