SCHEMBL12573100

SCHEMBL12573100

COc1cc(CO)c([C@H]2C(=O)[C@@H](c3ccc(OC)c(OC)c3)Oc3cc(CO)cc(OC)c32)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ ABCB1 P08183 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ACHE P22303 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PDE4D Q08499 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL12573099 1.00 ALDH1A1 (0.41) ALDH1A1CDK1CCNB1GSK3AGSK3B
SCHEMBL12573079 1.00 ALDH1A1 (0.41) ALDH1A1CDK1CCNB1GSK3AGSK3B
SCHEMBL12573072 0.94 ALDH1A1 (0.35) ALDH1A1CDK1CCNB1GSK3AGSK3B
SCHEMBL15159450 0.94 ALDH1A1 (0.35) ALDH1A1CDK1CCNB1GSK3AGSK3B
SCHEMBL12633180 0.83 ALDH1A1 (0.50) ALDH1A1CDK1CCNB1GSK3AGSK3B
SCHEMBL12633182 0.83 ALDH1A1 (0.50) ALDH1A1CDK1CCNB1GSK3AGSK3B
SCHEMBL12633184 0.83 ALDH1A1 (0.50) ALDH1A1CDK1CCNB1GSK3AGSK3B
SCHEMBL12573110 0.80 MAPK1 (0.51) ALDH1A1CDK1CCNB1GSK3AGSK3B
SCHEMBL12632525 0.78 ALDH1A1 (0.35) ALDH1A1CDK1CCNB1GSK3AGSK3B
SCHEMBL12632526 0.78 ALDH1A1 (0.35) ALDH1A1CDK1CCNB1GSK3AGSK3B

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 ALDH1A1 3071/4885CDK1 411/4885CCNB1 95/4885

“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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