SCHEMBL2182106

SCHEMBL2182106

O=c1c(-c2ccc(O)cc2)c(C(F)(F)F)oc2cc(O)ccc12

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.90
ESR2 Q92731 6/20 0.90
PSD A5PKW4 1/20 0.64
TTR P02766 2/20 0.55
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55
CYP3A4 P08684 3/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 3/20 0.55
MAPK1 P28482 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TP53 P04637 2/20 0.55
CYP2D6 P10635 2/20 0.55
MAPT P10636 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
PPARG P37231 1/20 0.52

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
SCHEMBL3957035 0.94 ESR1 (1.00) ESR1ESR2PSDTTRKDM4E
SCHEMBL29514709 0.92 ESR1 (0.81) ESR1ESR2PSDTTRKDM4E
SCHEMBL10815457 0.92 ESR1 (0.81) ESR1ESR2PSDTTRKDM4E
SCHEMBL2334656 0.90 ESR1 (0.77) ESR1ESR2PSDTTRKDM4E
SCHEMBL2329991 0.89 ESR1 (0.76) ESR1ESR2PSDTTRKDM4E
SCHEMBL2334006 0.87 ESR1 (0.72) ESR1ESR2PSDTTRKDM4E
SCHEMBL2331643 0.86 ESR1 (0.71) ESR1ESR2PSDTTRKDM4E
SCHEMBL2361240 0.85 ESR1 (0.69) ESR1ESR2PSDTTRKDM4E
SCHEMBL2335169 0.85 ESR1 (0.69) ESR1ESR2PSDTTRKDM4E
SCHEMBL2360307 0.84 ESR1 (0.65) ESR1ESR2PSDTTRKDM4E

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 6 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
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 ESR1 90/4885ESR2 8/4885PSD 3749/4885

“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.