SCHEMBL7167708

SCHEMBL7167708

CC1(CCCCCC(=O)NO)CCc2cc(-c3ccncc3)ccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.46
HDAC2 Q92769 11/20 0.43
HDAC1 Q13547 10/20 0.43
HDAC8 Q9BY41 7/20 0.43
HDAC3 O15379 7/20 0.43
HDAC6 Q9UBN7 6/20 0.41
HDAC4 P56524 5/20 0.41
HDAC7 Q8WUI4 5/20 0.41
HDAC10 Q969S8 5/20 0.41
HDAC11 Q96DB2 5/20 0.41
HDAC9 Q9UKV0 5/20 0.41
HDAC5 Q9UQL6 5/20 0.41
PTK2 Q05397 1/20 0.38

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
SCHEMBL7219364 0.90 DGAT1 (0.55) DGAT1HDAC2HDAC1HDAC8HDAC3
SCHEMBL7170747 0.89 HDAC1 (0.46) DGAT1HDAC2HDAC1HDAC8HDAC3
SCHEMBL7168738 0.85 HDAC1 (0.46) DGAT1HDAC2HDAC1HDAC8HDAC3
SCHEMBL7167869 0.84 HDAC1 (0.43) DGAT1HDAC2HDAC1HDAC8HDAC3
SCHEMBL7220507 0.83 HDAC1 (0.40) DGAT1HDAC2HDAC1HDAC8HDAC3
SCHEMBL7227385 0.81 HDAC1 (0.45) DGAT1HDAC2HDAC1HDAC8HDAC3
SCHEMBL7167834 0.80 HDAC1 (0.48) HDAC2HDAC1HDAC8HDAC3HDAC6
SCHEMBL7226924 0.79 HDAC6 (0.48) DGAT1HDAC2HDAC1HDAC8HDAC3
SCHEMBL7226605 0.79 HDAC1 (0.48) DGAT1HDAC2HDAC1HDAC8HDAC3
SCHEMBL7166455 0.79 HDAC1 (0.46) DGAT1HDAC2HDAC1HDAC8HDAC3

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
EP-1349830-A1 TETRALONE DERIVATIVES AS ANTITUMOR AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
US-6531472-B2 Has histone deacetylase (HDAC) inhibitory activity which is useful in cancer treatment HOFFMAN-LA ROCHE INC. 2003-03-11 US disclosed
WO-2002046144-A1 TETRALONE DERIVATIVES AS ANTITUMOR AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-13 WO 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 DGAT1 4030/4885HDAC2 7/4885HDAC1 1/4885

“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.