SCHEMBL13829573

SCHEMBL13829573

COc1ccc([C@H]2Oc3c(c(OC)cc(CO)c3C3=Cc4c(OC)cc(CO)cc4O[C@@H]3c3ccc(OC)c(OC)c3)C[C@@H]2O)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ PDE4D Q08499 7/20 0.36
▸ ABCB1 P08183 2/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL13837594 0.83 CYP3A4 (0.56) MAPK1CYP3A4MAPTTHRBABCB1
SCHEMBL13829426 0.82 CYP3A4 (0.52) MAPK1CYP3A4MAPTTHRBABCB1
SCHEMBL12573109 0.80 MAPK1 (0.52) MAPK1CYP3A4MAPTTHRBPDE4D
SCHEMBL12573106 0.80 MAPK1 (0.52) MAPK1CYP3A4MAPTTHRBPDE4D
SCHEMBL12573110 0.79 MAPK1 (0.51) MAPK1CYP3A4MAPTTHRBPDE4D
SCHEMBL13829253 0.79 ALDH1A1 (0.41) PDE4DABCB1ALDH1A1
SCHEMBL12573080 0.78 CYP3A4 (0.61) MAPK1CYP3A4MAPTTHRBPDE4D
SCHEMBL13829594 0.77 MAPK1 (0.52) MAPK1CYP3A4MAPTTHRBPDE4D
SCHEMBL13829393 0.77 MAPK1 (0.52) MAPK1CYP3A4MAPTTHRBPDE4D
SCHEMBL15159451 0.74 CYP3A4 (0.44) MAPK1CYP3A4MAPTTHRBPDE4D

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-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 MAPK1 1501/4885CYP3A4 115/4885MAPT 4751/4885

“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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