SCHEMBL13056303

SCHEMBL13056303

CCOP(=O)(COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1)OCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.64
ABCB1 P08183 7/20 0.64
CYP1A1 P04798 7/20 0.64
CYP1B1 Q16678 7/20 0.64
FTO Q9C0B1 5/20 0.64
MAOA P21397 5/20 0.64
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
CYP3A4 P08684 6/20 0.59
XDH P47989 5/20 0.59
CYP2C9 P11712 5/20 0.59
CYP2D6 P10635 5/20 0.59
CA12 O43570 4/20 0.59
PPARG P37231 4/20 0.59
CA7 P43166 4/20 0.59
BCHE P06276 4/20 0.59
MAPT P10636 4/20 0.59
ACHE P22303 4/20 0.59
CYP2C19 P33261 4/20 0.59
IPMK Q8NFU5 4/20 0.59

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
SCHEMBL13056274 0.88 BCL9 (0.66) CYP1A2ABCB1CYP1A1CYP1B1FTO
SCHEMBL119125 0.88 ABCB1 (0.67) CYP1A2ABCB1CYP1A1CYP1B1FTO
SCHEMBL120585 0.86 CYP1A2 (0.67) CYP1A2ABCB1CYP1A1CYP1B1FTO
SCHEMBL13076079 0.84 BCL9 (0.61) CYP1A2ABCB1CYP1A1CYP1B1FTO
SCHEMBL13056298 0.82 ABCB1 (0.55) CYP1A2ABCB1CYP1A1CYP1B1FTO
SCHEMBL13056275 0.81 POLH (0.77) CYP1A2ABCB1CYP1A1CYP1B1FTO
SCHEMBL13056300 0.80 ADORA3 (0.62) ABCB1CYP3A4CYP2D6PPARGMAPT
SCHEMBL13056272 0.79 BCL9 (0.67) CYP1A2ABCB1CYP1A1CYP1B1FTO
Kaempferide SCHEMBL426774 0.79 CYP1A2 (1.00) CYP1A2ABCB1CYP1A1CYP1B1FTO
Kaempferide SCHEMBL29371282 0.79 CYP1A2 (1.00) CYP1A2ABCB1CYP1A1CYP1B1FTO

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-20100297020-A1 PHOSPHORYLATED AND PHOSPHONATED PYRONE ANALOGS FOR THERAPEUTIC TREATMENT LIMERICK BIOPHARMA, INC. (US) 2010-11-25 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-20100297020-A1 PHOSPHORYLATED AND PHOSPHONATED PYRONE ANALOGS FOR THERAPEUTIC TREATMENT PC, PCK1, PYGL CYP1A2 2311/4885ABCB1 1417/4885CYP1A1 2951/4885

“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.