SCHEMBL13829420

SCHEMBL13829420

COc1ccc([C@@H]2CC(=O)c3c(OC)cc(CO)c([C@@H]4C(=O)c5c(OC)cc(CO)cc5O[C@@H]4c4ccc(OC)c(OC)c4)c3O2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ KLK1 P06870 1/20 0.44
▸ KLK3 P07288 1/20 0.44
▸ KLK2 P20151 1/20 0.44
▸ KLK7 P49862 1/20 0.44
▸ KLK6 Q92876 1/20 0.44
▸ KLK5 Q9Y337 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ PABPC1 P11940 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ EIF4H Q15056 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TAS2R31 P59538 1/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ TP53 P04637 2/20 0.42

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
SCHEMBL13829392 1.00 ALDH1A1 (0.44) ALDH1A1KLK1KLK3KLK2KLK7
SCHEMBL13829393 0.84 MAPK1 (0.52) ALDH1A1MAPTGAACYP3A4XDH
SCHEMBL13829594 0.84 MAPK1 (0.52) ALDH1A1MAPTGAACYP3A4XDH
SCHEMBL13829460 0.83 ALDH1A1 (0.58) ALDH1A1MAPTXDHHPGDSMN1; SMN2
SCHEMBL13829417 0.83 ALDH1A1 (0.58) ALDH1A1MAPTXDHHPGDSMN1; SMN2
SCHEMBL13829608 0.82 ALDH1A1 (0.43) ALDH1A1MAPTGAACYP3A4XDH
SCHEMBL13829610 0.82 ALDH1A1 (0.43) ALDH1A1MAPTGAACYP3A4XDH
SCHEMBL17635433 0.82 ALDH1A1 (0.57) ALDH1A1KLK1KLK3KLK2KLK7
SCHEMBL13837752 0.82 ALDH1A1 (0.57) ALDH1A1KLK1KLK3KLK2KLK7
SCHEMBL13829271 0.81 ALDH1A1 (0.44) ALDH1A1MAPTMEN1GAAKMT2A

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 ALDH1A1 612/4885KLK1 1105/4885KLK3 1127/4885

“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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