SCHEMBL12378836

SCHEMBL12378836

O=C1c2cc(O)ccc2O[C@H](c2ccc(O)c(O)c2)C1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.77
NSD2 O96028 1/20 0.77
TDO2 P48775 1/20 0.77
KDM4E B2RXH2 5/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
CYP3A4 P08684 4/20 0.64
MAPT P10636 4/20 0.64
HIF1A Q16665 3/20 0.64
RECQL P46063 2/20 0.64
ALOX15 P16050 2/20 0.64
MAPK1 P28482 2/20 0.64
HSD17B10 Q99714 2/20 0.64
POLB P06746 2/20 0.64
NFKB1 P19838 2/20 0.64
GAA P10253 1/20 0.64
CYP1A2 P05177 1/20 0.64
ALOX12 P18054 1/20 0.64
SOST Q9BQB4 1/20 0.64
ESR1 P03372 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
SCHEMBL12417567 1.00 IDO1 (0.77) IDO1NSD2TDO2KDM4EMEN1
Fustin SCHEMBL30443589 0.89 IDO1 (0.77) IDO1NSD2TDO2KDM4EMEN1
Fustin SCHEMBL555237 0.89 IDO1 (0.77) IDO1NSD2TDO2KDM4EMEN1
Fustin SCHEMBL29929489 0.89 IDO1 (0.77) IDO1NSD2TDO2KDM4EMEN1
Fustin SCHEMBL13583362 0.89 IDO1 (0.77) IDO1NSD2TDO2KDM4EMEN1
Fustin SCHEMBL13640269 0.89 IDO1 (0.77) IDO1NSD2TDO2KDM4EMEN1
SCHEMBL25673083 0.86 IDO1 (0.76) IDO1NSD2TDO2KDM4EMEN1
(+)-Taxifolin SCHEMBL1707803 0.78 CYP3A4 (1.00) IDO1NSD2TDO2KDM4EMEN1
(+)-Taxifolin SCHEMBL13241264 0.78 CYP3A4 (1.00) IDO1NSD2TDO2KDM4EMEN1
(+)-Taxifolin SCHEMBL7628142 0.78 CYP3A4 (1.00) IDO1NSD2TDO2KDM4EMEN1

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-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2011-08-04 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-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS CYP11B2, CYP11B1, GLS2 IDO1 2909/4885NSD2 4341/4885TDO2 3308/4885

“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.