SCHEMBL677757

SCHEMBL677757

Cc1cc(O)cc2c1C=C(c1ccc(O)cc1)CO2

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 10/20 0.41
ESR1 P03372 9/20 0.41
TYR P14679 1/20 0.34
RARA P10276 2/20 0.33
RARG P13631 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP3A4 P08684 1/20 0.33
ABL1 P00519 1/20 0.32
ABCB1 P08183 1/20 0.32
BCR P11274 1/20 0.32
RARB P10826 1/20 0.32
MIF P14174 1/20 0.31

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
SCHEMBL31270617 0.84 ESR2 (0.50) ESR2ESR1TYRMAOAMAOB
SCHEMBL614132 0.84 ESR2 (0.50) ESR2ESR1TYRMAOAMAOB
SCHEMBL13704161 0.83 RARA (0.36) RARARARGRARB
SCHEMBL5624423 0.82 ESR2 (0.41) ESR2ESR1TYRMAOAMAOB
Idronoxil SCHEMBL29353213 0.76 ESR2 (0.49) ESR2ESR1TYRRARARARG
Idronoxil SCHEMBL149612 0.76 ESR2 (0.49) ESR2ESR1TYRRARARARG
SCHEMBL676933 0.74 TYR (0.45) ESR2ESR1TYRRARARARG
SCHEMBL13704163 0.71 QPCT (0.40) ESR2ESR1TYRABCB1
SCHEMBL677785 0.71 ESR2 (0.42) ESR2ESR1TYRRARARARG
SCHEMBL10088628 0.71 CYP19A1 (0.33) ESR2ESR1MAOAMAOB

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906554-B2 Combination chemotherapy compositions and methods NOVOGEN RESEARCH PTY LTD (AU) 2011-03-15 US disclosed
US-7906554-B2 Combination chemotherapy compositions and methods NOVOGEN RESEARCH PTY LTD (AU) 2011-03-15 US disclosed
US-20100152284-A1 PREVENTION AND REVERSAL OF CHEMOTHERAPY-INDUCED PERIPHERAL NEUROPATHY NOVOGEN RESEARCH PTY LTD (AU) 2010-06-17 US disclosed
US-20100152284-A1 PREVENTION AND REVERSAL OF CHEMOTHERAPY-INDUCED PERIPHERAL NEUROPATHY NOVOGEN RESEARCH PTY LTD (AU) 2010-06-17 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-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 (5 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-20100152284-A1 PREVENTION AND REVERSAL OF CHEMOTHERAPY-INDUCED PERIPHERAL NEUROPATHY PMP22, NGF, GAP43 ESR2 1769/4885ESR1 3617/4885TYR 3022/4885
US-20060106220-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof SHBG, OAT, APOB ESR2 57/4885ESR1 291/4885TYR 811/4885
US-20080014249-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof SHBG, ESR2, GPER1 ESR2 2/4885ESR1 4/4885TYR 3346/4885
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB ESR2 57/4885ESR1 291/4885TYR 811/4885
US-20040147551-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof SHBG, ESR2, GPER1 ESR2 2/4885ESR1 4/4885TYR 3390/4885

“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.