SCHEMBL1430855

SCHEMBL1430855

COc1cc(OC)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](OC)C2C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NR3C1 P04150 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MMP2 P08253 2/20 0.37
▸ MMP14 P50281 2/20 0.37

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
SCHEMBL1973506 0.87 XDH (0.47) XDHALDH1A1CYP3A4MAPK1NR3C1
SCHEMBL1975182 0.77 HSD17B10 (0.44) XDHALDH1A1CYP3A4MAPK1CYP19A1
SCHEMBL15161369 0.75 ALDH1A1 (0.53) ALDH1A1CYP3A4MAPK1MEN1KMT2A
SCHEMBL15161417 0.75 ALDH1A1 (0.53) ALDH1A1CYP3A4MAPK1MEN1KMT2A
SCHEMBL3805652 0.74 CYP3A4 (0.59) CYP3A4MAPK1MMP2MMP14
SCHEMBL14244672 0.74 SNCA (0.57) XDHALDH1A1CYP3A4MAPK1MEN1
SCHEMBL25246785 0.73 CYP3A4 (0.78) ALDH1A1CYP3A4MAPK1MEN1KMT2A
SCHEMBL862416 0.73 CYP3A4 (0.78) ALDH1A1CYP3A4MAPK1MEN1KMT2A
SCHEMBL12597042 0.70 SNCA (0.52) XDHALDH1A1CYP3A4MAPK1MEN1
SCHEMBL862107 0.69 MMP2 (0.59) ALDH1A1CYP3A4MAPK1MEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300450-B1 METHOD FOR THE PREPARATION OF C-4 COUPLED FLAVONOIDS, PROANTHOCYANIDINS AND ANALOGUES THEREOF UNIV FREE STATE ZA (ZA) 2015-12-23 — — EP claimed
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 claimed
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 claimed
EP-2300450-A1 METHOD FOR THE PREPARATION OF C-4 COUPLED FLAVONOIDS, PROANTHOCYANIDINS AND ANALOGUES THEREOF University Of The Free State (ZA) 2011-03-30 — — EP claimed
WO-2009147645-A1 METHOD FOR THE PREPARATION OF C-4 COUPLED FLAVONOIDS, PROANTHOCYANIDINS AND ANALOGUES THEREOF UNIVERSITY OF THE FREE STATE (ZA) 2009-12-10 — — WO claimed
EP-2300450-B1 METHOD FOR THE PREPARATION OF C-4 COUPLED FLAVONOIDS, PROANTHOCYANIDINS AND ANALOGUES THEREOF UNIV FREE STATE ZA (ZA) 2015-12-23 — — EP disclosed
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
EP-2300450-A1 METHOD FOR THE PREPARATION OF C-4 COUPLED FLAVONOIDS, PROANTHOCYANIDINS AND ANALOGUES THEREOF University Of The Free State (ZA) 2011-03-30 — — EP disclosed
WO-2009147645-A1 METHOD FOR THE PREPARATION OF C-4 COUPLED FLAVONOIDS, PROANTHOCYANIDINS AND ANALOGUES THEREOF UNIVERSITY OF THE FREE STATE (ZA) 2009-12-10 — — WO 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 XDH 3164/4885ALDH1A1 3071/4885CYP3A4 26/4885

“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