SCHEMBL13829591

SCHEMBL13829591

COc1ccc(/C=C/C(=O)c2ccc(C)cc2OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.68
MAPT P10636 5/20 0.60
APP P05067 2/20 0.58
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPK1 P28482 1/20 0.57
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.54
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
CHRNA7 P36544 1/20 0.52
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL8682788 0.94 HDAC8 (0.75) HDAC8MAPTAPPNPC1RAB9A
SCHEMBL7751091 0.86 HDAC8 (0.62) HDAC8MAPTAPPNPC1RAB9A
SCHEMBL7751094 0.86 HDAC8 (0.62) HDAC8MAPTAPPNPC1RAB9A
SCHEMBL5132842 0.85 MAPT (0.75) HDAC8MAPTAPPNPC1RAB9A
SCHEMBL12695487 0.85 HDAC8 (0.51) HDAC8APPPDE4APDE4BPDE4C
SCHEMBL12695565 0.85 CHRNA7 (0.50) HDAC8MAPTAPPPDE4APDE4B
SCHEMBL12695586 0.85 HDAC8 (0.48) HDAC8MAPTAPPPDE4APDE4B
SCHEMBL12695543 0.85 HDAC8 (0.51) HDAC8APPPDE4APDE4BPDE4C
SCHEMBL27799479 0.84 HDAC8 (0.73) HDAC8MAPTNPC1RAB9AMEN1
SCHEMBL27799480 0.84 HDAC8 (0.73) HDAC8MAPTNPC1RAB9AMEN1

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 HDAC8 2104/4885MAPT 4751/4885APP 4825/4885

“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.