SCHEMBL2180371

SCHEMBL2180371

CCCc1oc2cc(OC(C)=O)ccc2c(=O)c1-c1ccc(OC(C)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
MAPT P10636 4/20 0.60
FPR1 P21462 5/20 0.55
PPARG P37231 1/20 0.53
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GLA P06280 4/20 0.49
GAA P10253 4/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
HPGD P15428 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL2181840 0.93 PPARG (0.59) KDM4EMAPTFPR1PPARGALDH1A1
SCHEMBL12413326 0.92 FPR1 (0.55) KDM4EMAPTFPR1PPARGALDH1A1
SCHEMBL13970374 0.86 PPARG (0.71) KDM4EMAPTFPR1PPARGALDH1A1
SCHEMBL12413347 0.86 PPARG (0.56) KDM4EMAPTFPR1PPARGALDH1A1
SCHEMBL6506553 0.82 MAPT (0.86) KDM4EMAPTFPR1ALDH1A1SMN1; SMN2
SCHEMBL2184783 0.79 KDM4E (0.62) KDM4EMAPTFPR1ALDH1A1SMN1; SMN2
SCHEMBL2181592 0.78 PPARG (0.81) KDM4EMAPTPPARGALDH1A1KMT2A
SCHEMBL2181512 0.78 MAPT (0.61) KDM4EMAPTFPR1ALDH1A1SMN1; SMN2
SCHEMBL2182899 0.78 KDM4E (0.74) KDM4EMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL13692850 0.76 MAPT (0.80) KDM4EMAPTFPR1ALDH1A1SMN1; SMN2

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 2334/4885FPR1 661/4885

“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.