SCHEMBL3379481

SCHEMBL3379481

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.35
CA2 P00918 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
UTS2R Q9UKP6 4/20 0.34
GPR52 Q9Y2T5 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
AOC3 Q16853 1/20 0.33
PLA2G2A P14555 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 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
SCHEMBL13783860 1.00 ALOX5 (0.35) ALOX5CA2HDAC1HDAC8UTS2R
SCHEMBL3380886 0.90 HDAC1 (0.36) CA2HDAC1HDAC8UTS2RMTNR1A
SCHEMBL13783862 0.90 HDAC1 (0.36) CA2HDAC1HDAC8UTS2RMTNR1A
SCHEMBL3380328 0.89 HDAC1 (0.40) CA2HDAC1HDAC8UTS2RMTNR1A
SCHEMBL13783872 0.89 HDAC1 (0.40) CA2HDAC1HDAC8UTS2RMTNR1A
SCHEMBL3381066 0.86 CA2 (0.37) CA2HDAC1HDAC8UTS2RADRA2A
SCHEMBL3383309 0.85 CA2 (0.39) ALOX5CA2HDAC1HDAC8MTNR1A
SCHEMBL7178095 0.82 CYP2C9 (0.34) GPR52AOC3
SCHEMBL7178094 0.82 CYP2C9 (0.34) GPR52AOC3
SCHEMBL3805543 0.81 AOC3 (0.39) CA2HDAC1HDAC8AOC3

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 5 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-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 ALOX5 4014/4885CA2 1712/4885HDAC1 1/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 ALOX5 4014/4885CA2 1712/4885HDAC1 1/4885

“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.