SCHEMBL616661

SCHEMBL616661

Cc1c(O)ccc2c1OCC(c1ccccc1)=C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
MET P08581 1/20 0.36
KIT P10721 1/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
RARA P10276 3/20 0.35
RARG P13631 3/20 0.35
CA12 O43570 1/20 0.34
TNF P01375 1/20 0.34
CA9 Q16790 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
TYR P14679 1/20 0.32
RARB P10826 1/20 0.32
CNR2 P34972 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30

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
SCHEMBL616469 0.88 ESR1 (0.43) ESR1ESR2METKITFGFR1
SCHEMBL615914 0.86 HSD17B1 (0.41) ESR1ESR2METKITFGFR1
SCHEMBL2070644 0.83 ESR2 (0.39) ESR1ESR2NR1H4ALOX5
SCHEMBL615933 0.78 QDPR (0.43) ESR1ESR2RARARARGRARB
SCHEMBL614015 0.77 PTGS2 (0.44) ESR1ESR2RARARARGRARB
SCHEMBL616346 0.73 MET (0.48) ESR1ESR2METKITFGFR1
SCHEMBL10088630 0.71 ESR1 (0.44) ESR1ESR2METKITFGFR1
SCHEMBL616344 0.70 RARA (0.46) ESR1ESR2RARARARGTYR
SCHEMBL21240603 0.67 CYP1A2 (0.42)
SCHEMBL29518399 0.66 NISCH (0.53) RARARARGRARBALOX5

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-20120039917-A1 IMMUNOMODULATING ACTIVITIES MARSHALL EDWARDS, INC. 2012-02-16 US disclosed
EP-2334296-A1 IMMUNOMODULATING ACTIVITIES Novogen Research Pty. Ltd. (AU) 2011-06-22 EP disclosed
WO-2010022467-A1 IMMUNOMODULATING ACTIVITIES NOVOGEN RESEARCH PTY LTD (AU) 2010-03-04 WO disclosed
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RESEARCH PTY LTD (AU) 2009-09-17 US disclosed
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RESEARCH PTY LTD (AU) 2009-09-17 US disclosed
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RESEARCH PTY LTD (AU) 2009-09-17 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-20120039917-A1 IMMUNOMODULATING ACTIVITIES CD4, NFATC1, HRH2 ESR1 138/4885ESR2 43/4885MET 1596/4885
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB ESR1 291/4885ESR2 57/4885MET 3443/4885

“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.