SCHEMBL3755551

SCHEMBL3755551

O=c1c(O)c(-c2ccc(O)c(OCP(=O)(O)O)c2)oc2cc(O)cc(O)c12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.69
KMT2A Q03164 5/20 0.69
CYP1A2 P05177 5/20 0.69
CYP1A1 P04798 4/20 0.69
CYP1B1 Q16678 4/20 0.69
CA12 O43570 3/20 0.69
CA2 P00918 3/20 0.69
PPARG P37231 3/20 0.69
CA7 P43166 3/20 0.69
XDH P47989 3/20 0.69
IPMK Q8NFU5 3/20 0.69
IP6K2 Q9UHH9 3/20 0.69
CA4 P22748 2/20 0.69
BCL9 O00512 13/20 0.66
CTNNB1 P35222 13/20 0.66
ABCB1 P08183 4/20 0.63
KDM4E B2RXH2 3/20 0.63
TP53 P04637 3/20 0.63
CYP3A4 P08684 3/20 0.63
CYP2C9 P11712 3/20 0.63

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
SCHEMBL13056264 0.91 CYP1A2 (0.69) MEN1KMT2ACYP1A2CYP1A1CYP1B1
SCHEMBL13076082 0.88 BCL9 (0.62) MEN1KMT2ACYP1A2CYP1A1CYP1B1
SCHEMBL13056272 0.88 BCL9 (0.67) MEN1KMT2ACYP1A2CYP1A1CYP1B1
SCHEMBL18102793 0.88 MEN1 (0.76) MEN1KMT2ACYP1A2CYP1A1CYP1B1
SCHEMBL13056274 0.87 BCL9 (0.66) MEN1KMT2ACYP1A2CYP1A1CYP1B1
SCHEMBL120585 0.87 CYP1A2 (0.67) MEN1KMT2ACYP1A2CYP1A1CYP1B1
SCHEMBL13081654 0.86 BCL9 (0.59) MEN1KMT2ACYP1A2CYP1A1CYP1B1
SCHEMBL13056280 0.86 MEN1 (0.52) MEN1KMT2ACYP1A2CYP1A1CYP1B1
Quercetin-3'-O-Phosphate SCHEMBL118113 0.85 CYP1A2 (0.73) MEN1KMT2ACYP1A2CYP1A1CYP1B1
Quercetin-3'-O-Phosphate SCHEMBL30299021 0.85 CYP1A2 (0.73) MEN1KMT2ACYP1A2CYP1A1CYP1B1

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 4 patents. 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
US-20100297020-A1 PHOSPHORYLATED AND PHOSPHONATED PYRONE ANALOGS FOR THERAPEUTIC TREATMENT LIMERICK BIOPHARMA, INC. (US) 2010-11-25 US disclosed
US-20100297020-A1 PHOSPHORYLATED AND PHOSPHONATED PYRONE ANALOGS FOR THERAPEUTIC TREATMENT LIMERICK BIOPHARMA, INC. (US) 2010-11-25 US disclosed
WO-2010129138-A2 PHOSPHORYLATED AND PHOSPHONATED PYRONE ANALOGS FOR THERAPEUTIC TREATMENT LIMERICK BIOPHARMA (US) 2010-11-11 WO 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 MEN1 2302/4885KMT2A 4512/4885CYP1A2 2311/4885

“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.