SCHEMBL2179205

SCHEMBL2179205

CC(=O)Oc1ccc(C2=Cc3ccc(OC(C)=O)cc3OC2C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
CA5A P35218 2/20 0.41
HSD17B10 Q99714 1/20 0.40
LMNA P02545 5/20 0.38
GAA P10253 2/20 0.38
GAPDH P04406 2/20 0.37
NFKB1 P19838 3/20 0.35
NFKB2 Q00653 3/20 0.35
RELA Q04206 3/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
CUL4A Q13619 1/20 0.35
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL12413244 0.92 LMNA (0.41) CA2CA5AHSD17B10LMNAGAA
SCHEMBL2181693 0.89 CA2 (0.41) CA2CA5AHSD17B10LMNAGAA
SCHEMBL2180009 0.83 CA2 (0.44) CA2CA5AHSD17B10LMNAGAA
SCHEMBL2182312 0.83 CA2 (0.44) CA2CA5AHSD17B10LMNAGAA
SCHEMBL13970428 0.81 CA2 (0.43) CA2CA5AHSD17B10LMNAGAA
SCHEMBL12413254 0.81 LMNA (0.42) CA2CA5AHSD17B10LMNAGAA
SCHEMBL2181652 0.81 CA2 (0.42) CA2CA5AHSD17B10LMNAGAA
SCHEMBL12503502 0.80 CA2 (0.35) CA2CA5AHSD17B10LMNAGAA
SCHEMBL2183407 0.80 CA2 (0.41) CA2CA5AHSD17B10LMNAGAA
SCHEMBL2181747 0.80 CA2 (0.44) CA2CA5AHSD17B10LMNAGAA

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
US-20110166142-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES NOVOGEN RESEARCH PTY LIMITED (AU) 2011-07-07 US disclosed
US-20110166142-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES NOVOGEN RESEARCH PTY LIMITED (AU) 2011-07-07 US disclosed
EP-2160385-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES Novogen Research Pty. Ltd. (AU) 2010-03-10 EP disclosed
WO-2009003229-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES NOVOGEN RESEARCH PTY LTD (AU) 2009-01-08 WO 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-20110166142-A1 2-SUBSTITUTED ISOFLAVONOID COMPOUNDS, MEDICAMENTS AND USES NFE2L2, PTGS2, PTGES2 CA2 1772/4885CA5A 2616/4885HSD17B10 646/4885

“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.