SCHEMBL7168541

SCHEMBL7168541

CCOC(=O)C1(CCCCCCCC(=O)NOCc2ccccc2)CCc2c(C)cc(C)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.40
NCOR2 Q9Y618 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM1A O60341 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 4/20 0.32
CNR2 P34972 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL7185400 0.84 L3MBTL1 (0.40) HDAC3NCOR2L3MBTL1KDM4EMAPT
SCHEMBL7228232 0.84 HDAC6 (0.37) HDAC3NCOR2L3MBTL1KDM4EMAPT
SCHEMBL7164859 0.84 HDAC6 (0.37) HDAC3NCOR2L3MBTL1KDM4EMAPT
SCHEMBL7162529 0.83 KDM4E (0.36) L3MBTL1KDM4EMAPTATMMEN1
SCHEMBL7167752 0.76 KDM4E (0.41) HDAC3NCOR2L3MBTL1KDM4EMAPT
SCHEMBL7165195 0.74 KDM4E (0.34) HDAC3L3MBTL1KDM4EMAPTATM
SCHEMBL1377332 0.70 HDAC3 (0.60) HDAC3NCOR2HDAC1HDAC2HDAC8
SCHEMBL1375075 0.70 HDAC3 (0.60) HDAC3NCOR2HDAC1HDAC2HDAC8
SCHEMBL7193348 0.69 HDAC1 (0.44) HDAC3L3MBTL1KDM4EMAPTATM
SCHEMBL6763786 0.68 HDAC3 (0.74) HDAC3NCOR2HDAC1HDAC2HDAC8

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 HDAC3 3/4885NCOR2 42/4885L3MBTL1 1425/4885

“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.