SCHEMBL13829404

SCHEMBL13829404

COc1ccc([C@H]2COc3cc(O)ccc3C2)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.57
ESR1 P03372 1/20 0.57
ESR2 Q92731 1/20 0.57
ALOX15 P16050 4/20 0.56
ALOX12 P18054 4/20 0.56
PTPN1 P18031 5/20 0.48
TYR P14679 3/20 0.48
CYP3A4 P08684 2/20 0.48
NPC1 O15118 1/20 0.48
HSP90AA1 P07900 1/20 0.48
RAB9A P51151 1/20 0.48
ALOX15B O15296 2/20 0.46
MAPK1 P28482 1/20 0.43

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
SCHEMBL29869998 1.00 TTR (0.57) TTRESR1ESR2ALOX15ALOX12
SCHEMBL29114658 1.00 TTR (0.57) TTRESR1ESR2ALOX15ALOX12
SCHEMBL30205823 1.00 TTR (0.57) TTRESR1ESR2ALOX15ALOX12
SCHEMBL31643797 1.00 TTR (0.57) TTRESR1ESR2ALOX15ALOX12
SCHEMBL1850123 1.00 TTR (0.57) TTRESR1ESR2ALOX15ALOX12
SCHEMBL29369381 0.96 ALOX15 (0.55) TTRESR1ESR2ALOX15ALOX12
SCHEMBL29724948 0.95 ALOX15 (0.59) TTRESR1ESR2ALOX15ALOX12
SCHEMBL28770238 0.95 ALOX15 (0.59) TTRESR1ESR2ALOX15ALOX12
SCHEMBL31544871 0.90 TTR (0.54) TTRESR1ESR2ALOX15ALOX12
SCHEMBL29737518 0.90 TTR (0.54) TTRESR1ESR2ALOX15ALOX12

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 3 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-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 TTR 2573/4885ESR1 2116/4885ESR2 1394/4885

“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.