SCHEMBL678220

SCHEMBL678220

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 4/20 0.58
PTPN1 P18031 1/20 0.47
ALOX15 P16050 2/20 0.46
CYP19A1 P11511 7/20 0.45
KCNH2 Q12809 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
TTR P02766 2/20 0.40
CYP3A4 P08684 2/20 0.40
CA12 O43570 1/20 0.40
SLCO2B1 O94956 1/20 0.40
SHBG P04278 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CALM1 P0DP23 1/20 0.40

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
SCHEMBL131547 1.00 ALOX12 (0.58) ALOX12PTPN1ALOX15CYP19A1KCNH2
SCHEMBL13923932 0.93 CYP19A1 (0.53) ALOX12PTPN1ALOX15CYP19A1KCNH2
SCHEMBL14281987 0.93 CYP19A1 (0.53) ALOX12PTPN1ALOX15CYP19A1KCNH2
SCHEMBL12825176 0.86 ALOX12 (0.65) ALOX12PTPN1ALOX15CYP19A1ESR1
SCHEMBL29412620 0.86 ALOX12 (0.65) ALOX12PTPN1ALOX15CYP19A1ESR1
SCHEMBL678189 0.86 ALOX12 (0.65) ALOX12PTPN1ALOX15CYP19A1ESR1
SCHEMBL13640753 0.82 PTPN1 (0.56) ALOX12PTPN1ALOX15CYP19A1ESR1
SCHEMBL15070036 0.82 ALOX12 (0.60) ALOX12PTPN1ALOX15CYP19A1KCNH2
SCHEMBL14177142 0.80 CYP19A1 (0.57) ALOX12ALOX15CYP19A1KCNH2TRPV1
SCHEMBL5797926 0.78 ALOX12 (0.75) ALOX12ALOX15CYP19A1KCNH2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526941-A1 Anti-inflammatory Modalities Marshall Edwards, Inc. (US) 2012-11-28 EP disclosed
US-20120059176-A1 ANTI-INFLAMMATORY MODALITIES MARSHALL EDWARDS, INC. (US) 2012-03-08 US disclosed
US-20120059176-A1 ANTI-INFLAMMATORY MODALITIES MARSHALL EDWARDS, INC. (US) 2012-03-08 US disclosed
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-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 (6 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 ALOX12 990/4885PTPN1 3046/4885ALOX15 965/4885
US-20060106220-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof SHBG, OAT, APOB ALOX12 1633/4885PTPN1 2937/4885ALOX15 1586/4885
US-20080014249-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof SHBG, ESR2, GPER1 ALOX12 1886/4885PTPN1 2163/4885ALOX15 1841/4885
US-20120059176-A1 ANTI-INFLAMMATORY MODALITIES TNF, PTGES, NFKBIA ALOX12 61/4885PTPN1 2468/4885ALOX15 72/4885
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB ALOX12 1633/4885PTPN1 2937/4885ALOX15 1586/4885
US-20040147551-A1 Compositions and therapeutic methods involving isoflavones and analogues thereof SHBG, ESR2, GPER1 ALOX12 2013/4885PTPN1 2130/4885ALOX15 2078/4885

“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.