SCHEMBL7228232

SCHEMBL7228232

CCOC(=O)C1(CCCCCCCC(=O)NO)CCc2c(C)cc(C)cc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.37
HDAC1 Q13547 12/20 0.37
HDAC3 O15379 10/20 0.37
HDAC2 Q92769 10/20 0.37
HDAC10 Q969S8 10/20 0.37
HDAC11 Q96DB2 10/20 0.37
HDAC8 Q9BY41 10/20 0.37
HDAC4 P56524 8/20 0.37
HDAC7 Q8WUI4 8/20 0.37
HDAC9 Q9UKV0 8/20 0.37
HDAC5 Q9UQL6 8/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NCOR2 Q9Y618 2/20 0.34

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
SCHEMBL7164859 1.00 HDAC6 (0.37) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL7167752 0.92 KDM4E (0.41) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL7162529 0.89 KDM4E (0.36) KDM4EMAPTATML3MBTL1
SCHEMBL7165195 0.86 KDM4E (0.34) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL7168541 0.84 HDAC3 (0.40) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL7193348 0.80 HDAC1 (0.44) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL7169367 0.75 SMN1; SMN2 (0.41) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL7164949 0.68 KDM4E (0.42) KDM4EMAPTATML3MBTL1
SCHEMBL7185400 0.67 L3MBTL1 (0.40) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL7167694 0.67 HDAC1 (0.42) HDAC6HDAC1HDAC3HDAC2HDAC10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6531472-B2 Has histone deacetylase (HDAC) inhibitory activity which is useful in cancer treatment HOFFMAN-LA ROCHE INC. 2003-03-11 US claimed
US-20020065282-A1 Tetralone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-05-30 US claimed
US-6531472-B2 Has histone deacetylase (HDAC) inhibitory activity which is useful in cancer treatment HOFFMAN-LA ROCHE INC. 2003-03-11 US disclosed
US-20020065282-A1 Tetralone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-05-30 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-20020065282-A1 Tetralone derivatives HDAC1, HDAC5, HDAC3 HDAC6 11/4885HDAC1 1/4885HDAC3 3/4885

“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.