SCHEMBL13829417

SCHEMBL13829417

COc1cc(CO)c([C@H]2C(=O)c3c(OC)cc(CO)cc3O[C@@H]2c2ccc(OC)c(OC)c2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.58
▸ ABCB1 P08183 9/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ PRSS3 P35030 1/20 0.45
▸ XDH P47989 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ AGTR1 P30556 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL13829460 1.00 ALDH1A1 (0.58) ALDH1A1ABCB1PRSS1PRSS2PRSS3
SCHEMBL17635418 0.84 ALDH1A1 (0.73) ALDH1A1ABCB1PRSS1PRSS2PRSS3
SCHEMBL13836488 0.84 ALDH1A1 (0.73) ALDH1A1ABCB1PRSS1PRSS2PRSS3
SCHEMBL13829420 0.83 ALDH1A1 (0.44) ALDH1A1ABCB1XDHKDM4EMAPT
SCHEMBL13829392 0.83 ALDH1A1 (0.44) ALDH1A1ABCB1XDHKDM4EMAPT
SCHEMBL13829271 0.82 ALDH1A1 (0.44) ALDH1A1ABCB1PRSS1PRSS2PRSS3
SCHEMBL13829594 0.82 MAPK1 (0.52) ALDH1A1ABCB1PRSS1PRSS2PRSS3
SCHEMBL13829255 0.82 ALDH1A1 (0.44) ALDH1A1ABCB1PRSS1PRSS2PRSS3
SCHEMBL13829393 0.82 MAPK1 (0.52) ALDH1A1ABCB1PRSS1PRSS2PRSS3
SCHEMBL13829608 0.81 ALDH1A1 (0.43) ALDH1A1ABCB1PRSS1PRSS2PRSS3

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 612/4885ABCB1 3877/4885PRSS1 3830/4885

“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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