SCHEMBL13829425

SCHEMBL13829425

COc1ccc([C@H]2Oc3c(c(OC)cc(C)c3[C@@H]3C(=O)c4c(OC)cc(C)cc4O[C@@H]3c3ccc(OC)c(OC)c3)C[C@@H]2O)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPK14 Q16539 1/20 0.42
▸ XDH P47989 2/20 0.42
▸ ABCB1 P08183 3/20 0.39
▸ GABRA1 P14867 2/20 0.36
▸ GABRB2 P47870 2/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ ACHE P22303 3/20 0.35

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
SCHEMBL13837887 0.85 ALDH1A1 (0.61) CYP3A4MAPK1MAPTTHRBALDH1A1
SCHEMBL13836603 0.85 ALDH1A1 (0.61) CYP3A4MAPK1MAPTTHRBALDH1A1
SCHEMBL13829594 0.82 MAPK1 (0.52) CYP3A4MAPK1MAPTTHRBALDH1A1
SCHEMBL13829393 0.82 MAPK1 (0.52) CYP3A4MAPK1MAPTTHRBALDH1A1
SCHEMBL13829275 0.79 CYP3A4 (0.62) CYP3A4MAPK1MAPTTHRBALDH1A1
SCHEMBL13829274 0.79 ALDH1A1 (0.61) CYP3A4MAPK1ALDH1A1XDHABCB1
SCHEMBL13829426 0.74 CYP3A4 (0.52) CYP3A4MAPK1MAPTTHRBALDH1A1
SCHEMBL13836488 0.71 ALDH1A1 (0.73) CYP3A4MAPK1ALDH1A1XDHABCB1
SCHEMBL17635418 0.71 ALDH1A1 (0.73) CYP3A4MAPK1ALDH1A1XDHABCB1
SCHEMBL13836666 0.70 ALDH1A1 (0.56) CYP3A4MAPK1ALDH1A1XDHABCB1

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 CYP3A4 115/4885MAPK1 1501/4885MAPT 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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