SCHEMBL953280

SCHEMBL953280

COc1ccc(C2=Cc3ccc(OCc4ccccc4)cc3OC2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.47
MAPT P10636 2/20 0.47
MAOB P27338 5/20 0.45
MAPK1 P28482 1/20 0.43
NOD2 Q9HC29 1/20 0.43
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAOA P21397 2/20 0.41
CA2 P00918 2/20 0.41
CA5A P35218 2/20 0.41
BCHE P06276 1/20 0.40
ANO1 Q5XXA6 1/20 0.40
ALOX5 P09917 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
SCHEMBL21475275 0.78 NFKB1 (0.36) NPSR1MAPTRAB9ANFKB1NFKB2
SCHEMBL949460 0.76 MAOB (0.51) NPSR1MAPTMAOBMAPK1NOD2
SCHEMBL18808263 0.74 NFKB1 (0.38) NFKB1NFKB2RELAALOX5
SCHEMBL21898228 0.74 MAPT (0.43) MAPTMAPK1RAB9ASMN1; SMN2NFKB1
SCHEMBL18535608 0.71 ESR1 (0.52) MAPTRAB9ANPC1ALDH1A1
SCHEMBL2182312 0.70 CA2 (0.44) MAPTMAOBRAB9ASMN1; SMN2NFKB1
SCHEMBL7114668 0.70 TRPA1 (0.42) MAOBNFKB1NFKB2RELA
SCHEMBL2179159 0.69 ESR1 (0.52) NFKB1NFKB2RELA
SCHEMBL9270633 0.69 ALOX5 (0.50) MAPTMAOBRAB9AMRGPRX4MAOA
SCHEMBL18773616 0.69 POLB (0.38) MAPTRAB9ASMN1; SMN2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 NPSR1 2625/4885MAPT 4056/4885MAOB 1773/4885

“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.