SCHEMBL4183249

SCHEMBL4183249

Oc1cccc(C2=Cc3c(O)cc(O)cc3OC2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 8/20 0.38
HSD17B2 P37059 8/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
POLH Q9Y253 1/20 0.36
NR1H4 Q96RI1 1/20 0.34
PRF1 P14222 1/20 0.34
TYR P14679 1/20 0.34
PTGS2 P35354 1/20 0.33

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
SCHEMBL13704163 0.87 QPCT (0.40) ESR1ESR2NR1H4TYR
SCHEMBL614132 0.83 ESR2 (0.50) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL31270617 0.83 ESR2 (0.50) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL14374103 0.81 HSD17B1 (0.37) HSD17B1HSD17B2CYP3A4CYP2C9NR1H4
SCHEMBL237510 0.80 TYR (0.43) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL13704314 0.77 QDPR (0.43) NR1H4PTGS2
SCHEMBL15271030 0.72 ESR1 (0.42) CYP3A4CYP2C9ESR1ESR2NR1H4
SCHEMBL31544343 0.72 ESR1 (0.42) CYP3A4CYP2C9ESR1ESR2NR1H4
SCHEMBL616344 0.69 RARA (0.46) CYP3A4ESR1ESR2NR1H4TYR
SCHEMBL677757 0.69 ESR2 (0.41) CYP3A4ESR1ESR2TYR

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7488494-B2 Compositions and therapeutic methods involving isoflavones and analogues thereof NOVOGEN RESEARCH PTY LTD. (AU) 2009-02-10 US disclosed
US-7488494-B2 Compositions and therapeutic methods involving isoflavones and analogues thereof NOVOGEN RESEARCH PTY LTD. (AU) 2009-02-10 US disclosed
US-7488494-B2 Compositions and therapeutic methods involving isoflavones and analogues thereof NOVOGEN RESEARCH PTY LTD. (AU) 2009-02-10 US disclosed
US-20080014249-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof NOVOGEN RESEARCH PTY LTD. 2008-01-17 US disclosed
US-20080014249-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof NOVOGEN RESEARCH PTY LTD. 2008-01-17 US disclosed
US-20080014249-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof NOVOGEN RESEARCH PTY LTD. 2008-01-17 US disclosed
EP-1721903-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof Novogen Research Pty. Ltd. (AU) 2006-11-15 EP disclosed
EP-1210341-B1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RES PTY LTD (AU) 2006-08-02 EP disclosed
US-20060106220-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof NOVOGEN RESEARCH PTY. LTD. 2006-05-18 US disclosed
US-20040147551-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof NOVOGEN RESEARCH PTY LTD. 2004-07-29 US disclosed
EP-1210341-A4 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RES PTY LTD (AU) 2003-06-11 EP disclosed
EP-1210341-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF Novogen Research Pty. Ltd. (AU) 2002-06-05 EP disclosed
WO-2001017986-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RESEARCH PTY LTD (AU) 2001-03-15 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 (4 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-20060106220-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof SHBG, OAT, APOB HSD17B1 246/4885HSD17B2 186/4885CYP3A4 2407/4885
US-20080014249-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof SHBG, ESR2, GPER1 HSD17B1 56/4885HSD17B2 44/4885CYP3A4 676/4885
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB HSD17B1 246/4885HSD17B2 186/4885CYP3A4 2407/4885
US-20040147551-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof SHBG, ESR2, GPER1 HSD17B1 60/4885HSD17B2 45/4885CYP3A4 486/4885

“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.