SCHEMBL3383309

SCHEMBL3383309

CC(C)(C)[Si](C)(C)OC(CCCCC=O)c1ccc2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
AOC3 Q16853 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
CASR P41180 2/20 0.33
UGT2B7 P16662 1/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALOX5 P09917 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 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
SCHEMBL3381066 0.89 CA2 (0.37) CA2AOC3MEN1KMT2AATM
SCHEMBL3379481 0.85 ALOX5 (0.35) CA2AOC3HDAC1HDAC8ALOX5
SCHEMBL13783860 0.85 ALOX5 (0.35) CA2AOC3HDAC1HDAC8ALOX5
SCHEMBL3805543 0.84 AOC3 (0.39) CA2AOC3MEN1KMT2AATM
SCHEMBL13783862 0.83 HDAC1 (0.36) CA2AOC3MEN1KMT2AHDAC1
SCHEMBL3380886 0.83 HDAC1 (0.36) CA2AOC3MEN1KMT2AHDAC1
SCHEMBL3380328 0.82 HDAC1 (0.40) CA2MEN1KMT2AHDAC1HDAC8
SCHEMBL13783872 0.82 HDAC1 (0.40) CA2MEN1KMT2AHDAC1HDAC8
SCHEMBL7175453 0.79 AOC3 (0.36) CA2AOC3SLC6A2SLC6A4
SCHEMBL9042608 0.73 PPARA (0.38) HDAC1HDAC8ALOX5MTNR1AMTNR1B

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 7 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-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 CA2 1712/4885AOC3 3907/4885MEN1 2635/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 CA2 1712/4885AOC3 3907/4885MEN1 2635/4885

“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.