SCHEMBL19736058

SCHEMBL19736058

COc1ccc(C2CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2)cc1OC(=O)CN

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 3/20 0.49
TAS2R31 P59538 2/20 0.49
TP53 P04637 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP19A1 P11511 2/20 0.46
XDH P47989 2/20 0.46
CYP1A1 P04798 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP1B1 Q16678 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.46
NPC1 O15118 1/20 0.46
CA12 O43570 1/20 0.46
KDM1A O60341 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL4129038 0.88 TAS2R31 (0.57) ODC1TAS2R31TP53CYP3A4CYP19A1
SCHEMBL14421486 0.82 TAS2R31 (0.57) ODC1TAS2R31TP53CYP3A4CYP19A1
SCHEMBL30873340 0.79 CYP19A1 (0.50) ODC1TAS2R31TP53CYP3A4CYP19A1
SCHEMBL16894619 0.79 CYP19A1 (0.50) ODC1TAS2R31TP53CYP3A4CYP19A1
SCHEMBL31065850 0.79 CYP19A1 (0.50) ODC1TAS2R31TP53CYP3A4CYP19A1
SCHEMBL15462191 0.78 CYP19A1 (0.54) ODC1TAS2R31TP53CYP3A4CYP19A1
SCHEMBL12878874 0.76 CYP19A1 (0.65) ODC1TAS2R31TP53CYP3A4CYP19A1
SCHEMBL16894655 0.76 CYP1A1 (0.60) TAS2R31CYP3A4CYP19A1CYP1A1CYP1A2
SCHEMBL19736062 0.74 TAS2R31 (0.54) TAS2R31TP53CYP3A4CYP19A1XDH
SCHEMBL30912310 0.74 ABCG2 (0.58) TAS2R31TP53CYP3A4CYP19A1XDH

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 ODC1 3950/4885TAS2R31 2271/4885TP53 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.