SCHEMBL13829393

SCHEMBL13829393

COc1ccc([C@H]2Oc3c(c(OC)cc(CO)c3[C@@H]3C(=O)c4c(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 20)

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
▸ ALDH1A1 P00352 1/20 0.46
▸ XDH P47989 1/20 0.41
▸ MAPK14 Q16539 1/20 0.39
▸ ABCB1 P08183 2/20 0.37
▸ SLCO2B1 O94956 1/20 0.37
▸ SLCO1B3 Q9NPD5 1/20 0.37
▸ SLCO1B1 Q9Y6L6 1/20 0.37
▸ PDE4D Q08499 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ ACHE P22303 1/20 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
SCHEMBL13829594 1.00 MAPK1 (0.52) MAPK1CYP3A4MAPTTHRBALDH1A1
SCHEMBL13829610 0.86 ALDH1A1 (0.43) MAPK1CYP3A4MAPTTHRBALDH1A1
SCHEMBL13829608 0.86 ALDH1A1 (0.43) MAPK1CYP3A4MAPTTHRBALDH1A1
SCHEMBL13829392 0.84 ALDH1A1 (0.44) MAPK1CYP3A4MAPTALDH1A1XDH
SCHEMBL13829420 0.84 ALDH1A1 (0.44) MAPK1CYP3A4MAPTALDH1A1XDH
SCHEMBL13836603 0.83 ALDH1A1 (0.61) MAPK1CYP3A4MAPTTHRBALDH1A1
SCHEMBL13837887 0.83 ALDH1A1 (0.61) MAPK1CYP3A4MAPTTHRBALDH1A1
SCHEMBL13829425 0.82 CYP3A4 (0.52) MAPK1CYP3A4MAPTTHRBALDH1A1
SCHEMBL12573110 0.82 MAPK1 (0.51) MAPK1CYP3A4MAPTTHRBALDH1A1
SCHEMBL13829460 0.82 ALDH1A1 (0.58) MAPTALDH1A1XDHABCB1SMN1; SMN2

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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