SCHEMBL12573109

SCHEMBL12573109

COc1ccc([C@H]2Oc3c(c(OC)cc(CO)c3[C@@H]3C(=O)[C@@H](c4ccc(OC)c(OC)c4)Oc4cc(CO)cc(CO)c43)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
▸ MAPK14 Q16539 1/20 0.39
▸ GAA P10253 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ACHE P22303 3/20 0.35
▸ ABCB1 P08183 2/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ GABRA1 P14867 2/20 0.35
▸ GABRB2 P47870 2/20 0.35
▸ PDE4D Q08499 4/20 0.34

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
SCHEMBL12573106 1.00 MAPK1 (0.52) MAPK1CYP3A4MAPTTHRBMAPK14
SCHEMBL12573110 0.96 MAPK1 (0.51) MAPK1CYP3A4MAPTTHRBMAPK14
SCHEMBL15159451 0.91 CYP3A4 (0.44) MAPK1CYP3A4MAPTTHRBMAPK14
SCHEMBL12573077 0.91 CYP3A4 (0.44) MAPK1CYP3A4MAPTTHRBMAPK14
SCHEMBL13829594 0.81 MAPK1 (0.52) MAPK1CYP3A4MAPTTHRBMAPK14
SCHEMBL13829393 0.81 MAPK1 (0.52) MAPK1CYP3A4MAPTTHRBMAPK14
SCHEMBL12633131 0.81 CYP3A4 (0.56) MAPK1CYP3A4MAPTTHRBMAPK14
SCHEMBL12633132 0.81 CYP3A4 (0.56) MAPK1CYP3A4MAPTTHRBMAPK14
SCHEMBL13829573 0.80 MAPK1 (0.52) MAPK1CYP3A4MAPTTHRBMAPK14
SCHEMBL12573100 0.76 ALDH1A1 (0.41) CYP3A4MAPTGAAACHEABCB1

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-8501970-B2 Method for the preparation of C-4 coupled flavonoids, proanthocyanidins and analogues thereof UNIVERSITY OF THE FREE STATE (ZA) 2013-08-06 — — US disclosed
US-20110160467-A1 Method for the Preparation of C-4 Coupled Flavonoids, Proanthocyanidins and Analogues Thereof UNIVERSITY OF THE FREE STATE (ZA) 2011-06-30 — — 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-20110160467-A1 Method for the Preparation of C-4 Coupled Flavonoids, Proanthocyanidins and Analogues Thereof C9, PROC, MLN MAPK1 3038/4885CYP3A4 26/4885MAPT 2729/4885

“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.

Send feedback