SCHEMBL3384358

SCHEMBL3384358

CCOC(=O)CCCCCCC(=O)c1ccc(-c2cccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC3 O15379 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
TBXAS1 P24557 3/20 0.53
MKNK1 Q9BUB5 4/20 0.49
MKNK2 Q9HBH9 4/20 0.49
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP2C9 P11712 1/20 0.45
LMNA P02545 2/20 0.45

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
SCHEMBL3382930 0.86 L3MBTL1 (0.59) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL13527204 0.84 HDAC3 (0.59) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL15060908 0.83 MKNK1 (0.58) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL13783881 0.82 HDAC1 (0.62) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL5068360 0.80 CYP4F2 (0.56) HDAC1MKNK1MKNK2CYP3A4CYP2C19
SCHEMBL3381682 0.79 HDAC1 (0.61) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL5735824 0.79 MKNK1 (0.59) MKNK1MKNK2CYP3A4CYP2C19CYP2D6
SCHEMBL3383976 0.78 HDAC8 (0.58) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL3384356 0.78 HDAC1 (0.53) HDAC1HDAC8HDAC3HDAC2HDAC6
SCHEMBL6138451 0.78 KMT2A (0.51) LMNAPOLBMMP2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280764-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-11-24 EP disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
EP-1524262-A1 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2005-04-20 EP disclosed
US-20020115826-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2002-08-22 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 (2 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-20020115826-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC8 9/4885HDAC3 3/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC8 9/4885HDAC3 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.