SCHEMBL2184783

SCHEMBL2184783

CC(=O)Oc1ccc(-c2c(C(C)C)oc3cc(OC(C)=O)ccc3c2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.62
MAPT P10636 5/20 0.62
ALDH1A1 P00352 7/20 0.51
GLA P06280 3/20 0.51
GAA P10253 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 2/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HPGD P15428 2/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
ESR1 P03372 1/20 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
SCHEMBL14185196 0.93 KDM4E (0.57) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL12413335 0.92 KDM4E (0.56) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL3583010 0.85 CA1 (0.52) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL6506553 0.84 MAPT (0.86) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL2333853 0.81 ALDH1A1 (0.48) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL2182899 0.80 KDM4E (0.74) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL2181512 0.80 MAPT (0.61) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL14185215 0.80 MAPT (0.48) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL2180371 0.79 KDM4E (0.60) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL13692850 0.78 MAPT (0.80) KDM4EMAPTALDH1A1GLAGAA

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
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
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 KDM4E 3142/4885MAPT 2334/4885ALDH1A1 2357/4885

“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.