SCHEMBL949460

SCHEMBL949460

COc1ccc(C2=Cc3ccc(OCc4ccccc4)cc3OC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.51
MAOA P21397 4/20 0.51
ALOX5 P09917 2/20 0.47
NPSR1 Q6W5P4 3/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
GRM5 P41594 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
NOD2 Q9HC29 1/20 0.46
CA2 P00918 2/20 0.44
CA5A P35218 2/20 0.44
EDNRB P24530 2/20 0.42
EDNRA P25101 2/20 0.42

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
SCHEMBL4549090 0.86 MAOB (0.47) MAOBMAOAALOX5NPSR1NPC1
SCHEMBL2688515 0.84 MAOB (0.53) MAOBMAOAALOX5NPSR1NPC1
SCHEMBL12946430 0.81 ALOX5 (0.43) MAOBALOX5NPC1ALDH1A1NFKB1
SCHEMBL24215086 0.79 MAOB (0.45) MAOBMAOAALOX5NPSR1NPC1
SCHEMBL952469 0.78 NR1H4 (0.54) MAOBALOX5NPC1ALDH1A1NFKB1
SCHEMBL1962780 0.78 MAOB (0.51) MAOBMAOAALOX5NPSR1NPC1
SCHEMBL2937052 0.77 RARA (0.40) MAOBMAOAALOX5ALDH1A1MAPT
SCHEMBL953280 0.76 NPSR1 (0.47) MAOBMAOAALOX5NPSR1NPC1
SCHEMBL1961908 0.76 MAOB (0.54) MAOBMAOAALOX5NPSR1NPC1
SCHEMBL4549091 0.76 MAOB (0.43) MAOBMAOAALOX5NPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875736-B2 catalytic metathesis ring closing; 1,4-benzyloxy-2-hydroxybenzaldehyde reacts with mixture of methyl triphenyl phosphonium bromide and potassium tert-butoxide, followed by reaction with 2-bromo-4'-methoxyacetophenone KAOHSIUNG MEDICAL UNIVERSITY (TW) 2011-01-25 US claimed
US-20100298582-A1 Intermediate Compounds and Processes for the Preparation of 7-benzyloxy-3-(4-methoxyphenyl)-2H-1-benzopyran KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-11-25 US claimed
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-7875736-B2 catalytic metathesis ring closing; 1,4-benzyloxy-2-hydroxybenzaldehyde reacts with mixture of methyl triphenyl phosphonium bromide and potassium tert-butoxide, followed by reaction with 2-bromo-4'-methoxyacetophenone KAOHSIUNG MEDICAL UNIVERSITY (TW) 2011-01-25 US disclosed
US-7875736-B2 catalytic metathesis ring closing; 1,4-benzyloxy-2-hydroxybenzaldehyde reacts with mixture of methyl triphenyl phosphonium bromide and potassium tert-butoxide, followed by reaction with 2-bromo-4'-methoxyacetophenone KAOHSIUNG MEDICAL UNIVERSITY (TW) 2011-01-25 US disclosed
US-7875736-B2 catalytic metathesis ring closing; 1,4-benzyloxy-2-hydroxybenzaldehyde reacts with mixture of methyl triphenyl phosphonium bromide and potassium tert-butoxide, followed by reaction with 2-bromo-4'-methoxyacetophenone 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-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-7875736-B2 catalytic metathesis ring closing; 1,4-benzyloxy-2-hydroxybenzaldehyde reacts with mixture of methyl triphenyl phosphonium bromide and potassium tert-butoxide, followed by reaction with 2-bromo-4'-methoxyacetophenone 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-20100298582-A1 Intermediate Compounds and Processes for the Preparation of 7-benzyloxy-3-(4-methoxyphenyl)-2H-1-benzopyran KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-11-25 US disclosed
US-20100298582-A1 Intermediate Compounds and Processes for the Preparation of 7-benzyloxy-3-(4-methoxyphenyl)-2H-1-benzopyran 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-20100298582-A1 Intermediate Compounds and Processes for the Preparation of 7-benzyloxy-3-(4-methoxyphenyl)-2H-1-benzopyran KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-11-25 US disclosed
US-20100298582-A1 Intermediate Compounds and Processes for the Preparation of 7-benzyloxy-3-(4-methoxyphenyl)-2H-1-benzopyran KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-11-25 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-20100298582-A1 Intermediate Compounds and Processes for the Preparation of 7-benzyloxy-3-(4-methoxyphenyl)-2H-1-benzopyran CYP11B1, CYP2E1, CYP1B1 MAOB 80/4885MAOA 100/4885ALOX5 1539/4885
US-20100298581-A1 Processes for Preparing Isoflavonoids using 7-benzyloxy-3-(4-methoxyphenyl)-2H-1-benzopyran as a Starting Material EGLN2, HABP2, CYP8B1 MAOB 1773/4885MAOA 2622/4885ALOX5 1011/4885

“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.