SCHEMBL13837752

SCHEMBL13837752

COc1cc(OC)c2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](c1c(OC)cc(OC)c3c1O[C@H](c1ccc(OC)c(OC)c1)CC3=O)C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.57
▸ ABCG2 Q9UNQ0 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ ABCB1 P08183 2/20 0.47
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ PABPC1 P11940 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ EIF4H Q15056 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.45
▸ ATM Q13315 1/20 0.45

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
SCHEMBL17635433 1.00 ALDH1A1 (0.57) ALDH1A1ABCG2KDM4ECYP3A4HPGD
SCHEMBL13836488 0.85 ALDH1A1 (0.73) ALDH1A1ABCG2KDM4ECYP3A4HPGD
SCHEMBL17635418 0.85 ALDH1A1 (0.73) ALDH1A1ABCG2KDM4ECYP3A4HPGD
SCHEMBL13836603 0.82 ALDH1A1 (0.61) ALDH1A1ABCG2KDM4ECYP3A4HPGD
SCHEMBL13837887 0.82 ALDH1A1 (0.61) ALDH1A1ABCG2KDM4ECYP3A4HPGD
SCHEMBL13829420 0.82 ALDH1A1 (0.44) ALDH1A1ABCG2KDM4ECYP3A4HPGD
SCHEMBL13829392 0.82 ALDH1A1 (0.44) ALDH1A1ABCG2KDM4ECYP3A4HPGD
SCHEMBL5857357 0.81 ALDH1A1 (0.76) ALDH1A1ABCG2KDM4ECYP3A4HPGD
SCHEMBL13836666 0.80 ALDH1A1 (0.56) ALDH1A1ABCG2KDM4ECYP3A4HPGD
SCHEMBL17635421 0.80 ALDH1A1 (0.56) ALDH1A1ABCG2KDM4ECYP3A4HPGD

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 612/4885ABCG2 209/4885KDM4E 3232/4885

“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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