SCHEMBL19736057

SCHEMBL19736057

COc1ccc(C2CC(=O)c3cc(OC)c(OC)c(OC)c3O2)cc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.62
MAPT P10636 3/20 0.57
TP53 P04637 2/20 0.57
CYP3A4 P08684 2/20 0.57
XDH P47989 2/20 0.57
ATM Q13315 2/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PKM P14618 1/20 0.57
NPC1 O15118 1/20 0.57
CA12 O43570 1/20 0.57
KDM1A O60341 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A1 P04798 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
CA4 P22748 1/20 0.57
DPP4 P27487 1/20 0.57

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
SCHEMBL382208 0.93 CYP19A1 (0.62) CYP19A1MAPTTP53CYP3A4XDH
SCHEMBL16894660 0.89 ODC1 (0.50) CYP19A1MAPTABCG2PTPN1POLB
SCHEMBL2124058 0.85 CYP19A1 (0.68) CYP19A1MAPTTP53CYP3A4XDH
SCHEMBL14829728 0.85 CYP19A1 (0.65) CYP19A1MAPTTP53CYP3A4XDH
SCHEMBL12878874 0.85 CYP19A1 (0.65) CYP19A1MAPTTP53CYP3A4XDH
SCHEMBL2319144 0.85 CYP19A1 (0.68) CYP19A1MAPTTP53CYP3A4XDH
SCHEMBL16894664 0.84 MAOB (0.60) CYP19A1MAPTCYP3A4NPC1RAB9A
SCHEMBL10425232 0.84 ABCG2 (0.60) CYP19A1MAPTCYP3A4HPGDNPC1
SCHEMBL16894614 0.84 PTAFR (0.49) CYP19A1MAPTCYP3A4HPGDALDH1A1
SCHEMBL30674790 0.83 MAOB (0.57) CYP19A1MAPTCYP3A4HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170360744-A1 AGENT CONTAINING FLAVONOID DERIVATIVES FOR TREATING CANCER AND INFLAMMATION FLAVOCURE BIOTECH INC. 2017-12-21 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-20170360744-A1 AGENT CONTAINING FLAVONOID DERIVATIVES FOR TREATING CANCER AND INFLAMMATION TNF, NLRP3, F3 CYP19A1 78/4885MAPT 1505/4885TP53 70/4885

“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.