SCHEMBL7166455

SCHEMBL7166455

CC1(CCCCC(=O)NO)CCc2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.46
HDAC8 Q9BY41 12/20 0.46
HDAC2 Q92769 9/20 0.46
HDAC4 P56524 9/20 0.46
HDAC6 Q9UBN7 9/20 0.46
HDAC3 O15379 8/20 0.46
HDAC7 Q8WUI4 8/20 0.46
HDAC11 Q96DB2 8/20 0.46
HDAC9 Q9UKV0 8/20 0.46
HDAC5 Q9UQL6 8/20 0.46
HDAC10 Q969S8 7/20 0.46
NCOR2 Q9Y618 1/20 0.42
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40

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
SCHEMBL7167834 0.99 HDAC1 (0.48) HDAC1HDAC8HDAC2HDAC4HDAC6
SCHEMBL7165497 0.87 HDAC1 (0.40) HDAC1HDAC8HDAC2HDAC4HDAC6
SCHEMBL7168473 0.86 HDAC1 (0.45) HDAC1HDAC8HDAC2HDAC4HDAC6
SCHEMBL7161650 0.85 L3MBTL1 (0.46) HDAC1HDAC8HDAC2HDAC4HDAC6
SCHEMBL7219364 0.85 DGAT1 (0.55) HDAC1HDAC8HDAC2HDAC4HDAC6
SCHEMBL7167869 0.85 HDAC1 (0.43) HDAC1HDAC8HDAC2HDAC4HDAC6
SCHEMBL7220507 0.84 HDAC1 (0.40) HDAC1HDAC8HDAC2HDAC4HDAC6
SCHEMBL7171271 0.83 HDAC1 (0.42) HDAC1HDAC8HDAC2HDAC4HDAC6
SCHEMBL7171382 0.82 HDAC1 (0.46) HDAC1HDAC8HDAC2HDAC4HDAC6
SCHEMBL7227389 0.82 DGAT1 (0.39) HDAC9DGAT1GAAHTR2AHTR2C

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 6 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
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 HDAC1 1/4885HDAC8 5/4885HDAC2 7/4885

“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.