SCHEMBL7167752

SCHEMBL7167752

COC(=O)C1(CCCCC(=O)NO)CCc2c(C)cc(C)cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC1 Q13547 14/20 0.38
HDAC6 Q9UBN7 14/20 0.38
HDAC3 O15379 12/20 0.38
HDAC2 Q92769 12/20 0.38
HDAC10 Q969S8 12/20 0.38
HDAC11 Q96DB2 12/20 0.38
HDAC8 Q9BY41 12/20 0.38
HDAC4 P56524 10/20 0.38
HDAC7 Q8WUI4 10/20 0.38
HDAC9 Q9UKV0 10/20 0.38
HDAC5 Q9UQL6 10/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
NCOR2 Q9Y618 2/20 0.33

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
SCHEMBL7228232 0.92 HDAC6 (0.37) KDM4EMAPTATML3MBTL1HDAC1
SCHEMBL7164859 0.92 HDAC6 (0.37) KDM4EMAPTATML3MBTL1HDAC1
SCHEMBL7169367 0.80 SMN1; SMN2 (0.41) KDM4EMAPTATML3MBTL1HDAC1
SCHEMBL7162529 0.80 KDM4E (0.36) KDM4EMAPTATML3MBTL1SMN1; SMN2
SCHEMBL7165195 0.79 KDM4E (0.34) KDM4EMAPTATML3MBTL1HDAC1
SCHEMBL7168541 0.76 HDAC3 (0.40) KDM4EMAPTATML3MBTL1HDAC1
SCHEMBL7193348 0.73 HDAC1 (0.44) KDM4EMAPTATML3MBTL1HDAC1
SCHEMBL28260491 0.69 SMN1; SMN2 (0.41) KDM4EMAPTATML3MBTL1SMN1; SMN2
SCHEMBL7167694 0.68 HDAC1 (0.42) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL7142857 0.66 HDAC1 (0.41) HDAC1HDAC6HDAC3HDAC2HDAC10

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 KDM4E 112/4885MAPT 3276/4885ATM 1047/4885

“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.