Sugi Predict

Sugi Predict / Compounds / SCHEMBL952469

SCHEMBL952469

SCHEMBL952469

COc1ccc(C2=Cc3ccc(O)cc3OC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.54
▸ ESRRB O95718 1/20 0.46
▸ ESRRA P11474 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ RARA P10276 3/20 0.43
▸ RARG P13631 3/20 0.43
▸ RARB P10826 2/20 0.43
▸ TYR P14679 1/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ SULT1A1 P50225 1/20 0.41

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 0.86 ESR2 (0.49) NR1H4MAOBESR2RARARARG
Idronoxil SCHEMBL29353213 0.86 ESR2 (0.49) NR1H4MAOBESR2RARARARG
SCHEMBL614571 0.85 NR1H4 (0.51) NR1H4ESRRBESRRAALOX5RARA
SCHEMBL5962012 0.84 ALOX12 (0.45) NR1H4ALOX5ESR2RARARARG
SCHEMBL676933 0.84 TYR (0.45) NR1H4ESR2RARARARGRARB
SCHEMBL616710 0.83 RARA (0.49) NR1H4MAOBRARARARGRARB
SCHEMBL612956 0.82 MAOB (0.49) NR1H4MAOBALOX5ESR2RARA
SCHEMBL2069736 0.81 ALOX5 (0.51) NR1H4ALOX5RARARARGRARB
SCHEMBL615450 0.81 TYR (0.43) NR1H4ESRRBESRRAMAOBESR2
SCHEMBL616344 0.80 RARA (0.46) NR1H4ALOX5ESR2RARARARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143588-A1 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD. 2005-06-30 — — US claimed
EP-1153020-A4 PRODUCTION OF ISOFLAVONE DERIVATIVES NOVOGEN RES PTY LTD (AU) 2002-08-21 — — EP claimed
EP-1153020-A1 PRODUCTION OF ISOFLAVONE DERIVATIVES Novogen Research Pty. Ltd. (AU) 2001-11-14 — — EP claimed
WO-2000049009-A1 PRODUCTION OF ISOFLAVONE DERIVATIVES NOVOGEN RESEARCH PTY. LTD. (AU) 2000-08-24 — — WO claimed
US-7906660-B2 Production of isoflavone derivatives 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-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-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-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-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-20060217564-A1 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD. 2006-09-28 — — US disclosed
WO-2005103025-A1 ISOFLAVENE SYNTHETIC METHOD AND CATALYST NOVOGEN RESEARCH PTY LTD (AU) 2005-11-03 — — WO disclosed
US-20050143588-A1 Production of isoflavone derivatives NOVOGEN RESEARCH PTY LTD. 2005-06-30 — — US disclosed
EP-1153020-A4 PRODUCTION OF ISOFLAVONE DERIVATIVES NOVOGEN RES PTY LTD (AU) 2002-08-21 — — EP disclosed
EP-1153020-A1 PRODUCTION OF ISOFLAVONE DERIVATIVES Novogen Research Pty. Ltd. (AU) 2001-11-14 — — EP disclosed
WO-2000049009-A1 PRODUCTION OF ISOFLAVONE DERIVATIVES NOVOGEN RESEARCH PTY. LTD. (AU) 2000-08-24 — — 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 (3 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-20060217564-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 NR1H4 1999/4885ESRRB 709/4885ESRRA 592/4885
US-20100298581-A1 Processes for Preparing Isoflavonoids using 7-benzyloxy-3-(4-methoxyphenyl)-2H-1-benzopyran as a Starting Material EGLN2, HABP2, CYP8B1 NR1H4 2060/4885ESRRB 1384/4885ESRRA 1339/4885
US-20050143588-A1 Production of isoflavone derivatives CYP51A1, EGLN2, EGLN3 NR1H4 1999/4885ESRRB 709/4885ESRRA 592/4885

“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.