SCHEMBL676933

SCHEMBL676933

Cc1ccc(C2=Cc3ccc(O)cc3OC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.45
RARA P10276 4/20 0.44
RARG P13631 4/20 0.44
RARB P10826 2/20 0.43
ESR2 Q92731 5/20 0.41
ESR1 P03372 4/20 0.41
NR1H4 Q96RI1 1/20 0.40
APP P05067 1/20 0.37
CYP3A4 P08684 1/20 0.37
ACHE P22303 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
MIF P14174 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35

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
Idronoxil SCHEMBL149612 0.90 ESR2 (0.49) TYRRARARARGRARBESR2
Idronoxil SCHEMBL29353213 0.90 ESR2 (0.49) TYRRARARARGRARBESR2
SCHEMBL2742793 0.87 RARA (0.44) TYRRARARARGRARBMAPT
SCHEMBL615450 0.84 TYR (0.43) TYRRARARARGRARBESR2
SCHEMBL616344 0.84 RARA (0.46) TYRRARARARGRARBESR2
SCHEMBL952469 0.84 NR1H4 (0.54) TYRRARARARGRARBESR2
SCHEMBL4549102 0.82 TYR (0.55) TYRRARARARGRARBESR2
SCHEMBL237510 0.79 TYR (0.43) TYRRARARARGRARBESR2
SCHEMBL26549421 0.79 NISCH (0.48) RARARARGRARBESR2ESR1
SCHEMBL616710 0.79 RARA (0.49) TYRRARARARGRARBNR1H4

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-7915308-B2 Therapeutic methods and compositions involving isoflavones NOVOGEN RESEARCH PTY LTD (AU) 2011-03-29 US disclosed
US-7906554-B2 Combination chemotherapy compositions and methods NOVOGEN RESEARCH PTY LTD (AU) 2011-03-15 US disclosed
US-7875735-B2 such as haginin E, equol, daidzein, formononetin; dealkylation, hydroboration, oxidation in presence of base, oxidation-dehydrogenation using 2,3-dichloro-5,6-dicyanobenzoquinone, and deprotecting KAOHSIUNG MEDICAL UNIVERSITY (TW) 2011-01-25 US disclosed
US-20100298581-A1 Processes for Preparing Isoflavonoids using 7-benzyloxy-3-(4-methoxyphenyl)-2H-1-benzopyran as a Starting Material KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-11-25 US disclosed
US-20080261995-A1 Pharmaceutical Combination of a Pde-5 Inhibitor and a 5-Alpha Reductase Inhibitor PFIZER INC. 2008-10-23 US disclosed
US-7202273-B2 Therapeutic methods and compositions involving isoflavones NOVOGEN RESEARCH PTY LTD (AU) 2007-04-10 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-20100298581-A1 Processes for Preparing Isoflavonoids using 7-benzyloxy-3-(4-methoxyphenyl)-2H-1-benzopyran as a Starting Material EGLN2, HABP2, CYP8B1 TYR 1530/4885RARA 4445/4885RARG 3798/4885
US-20080261995-A1 Pharmaceutical Combination of a Pde-5 Inhibitor and a 5-Alpha Reductase Inhibitor PDE5A, PDE12, QDPR TYR 4779/4885RARA 3127/4885RARG 2793/4885

“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.