SCHEMBL13829456

SCHEMBL13829456

COc1cc(O)c2c(c1)O[C@@H]1c3ccc(O)cc3OC[C@H]21

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.54
▸ MAOB P27338 2/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ MAPT P10636 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ MGAM O43451 1/20 0.47
▸ PTPN1 P18031 2/20 0.45
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ ESR1 P03372 2/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ TAS2R31 P59538 1/20 0.38

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
SCHEMBL30523839 1.00 MAOA (0.54) MAOAMAOBCYP3A4MAPTTDP1
SCHEMBL30523846 0.94 MAPT (0.61) MAOAMAOBCYP3A4MAPTTDP1
SCHEMBL30523834 0.85 MAOA (0.51) MAOAMAOBCYP3A4MAPTTDP1
SCHEMBL19999732 0.85 MAPT (0.70) MAOAMAOBCYP3A4MAPTTDP1
SCHEMBL29572230 0.85 MAPT (0.70) MAOAMAOBCYP3A4MAPTTDP1
SCHEMBL72476 0.85 MAPT (0.70) MAOAMAOBCYP3A4MAPTTDP1
SCHEMBL72477 0.85 MAPT (0.70) MAOAMAOBCYP3A4MAPTTDP1
SCHEMBL31039664 0.85 MAPT (0.70) MAOAMAOBCYP3A4MAPTTDP1
SCHEMBL12912390 0.85 MAPT (0.70) MAOAMAOBCYP3A4MAPTTDP1
SCHEMBL30523860 0.84 DYRK1A (0.47) MAOAMAOBCYP3A4MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296717-B2 Synthesis of C-3 coupled biflavonoids and C-3 coupled biflavonoid analogues UNIVERSITY OF THE FREE STATE (ZA) 2016-03-29 — — US disclosed
US-9296717-B2 Synthesis of C-3 coupled biflavonoids and C-3 coupled biflavonoid analogues UNIVERSITY OF THE FREE STATE (ZA) 2016-03-29 — — US disclosed
US-20120289715-A1 Synthesis of C-3 Coupled Biflavonoids and C-3 Coupled Biflavonoid Analogues UNIVERSITY OF THE FREE STATE (ZA) 2012-11-15 — — 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-20120289715-A1 Synthesis of C-3 Coupled Biflavonoids and C-3 Coupled Biflavonoid Analogues CBR3, C9, PROC MAOA 133/4885MAOB 106/4885CYP3A4 115/4885

“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.

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