SCHEMBL169717

SCHEMBL169717

O=c1c(OCc2ccccc2)c(-c2ccc(OCc3ccccc3)c(O)c2)oc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
GAA P10253 1/20 0.52
TP53 P04637 3/20 0.52
MAPT P10636 3/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ABCG2 Q9UNQ0 4/20 0.52
KMT2A Q03164 3/20 0.51
HSD17B10 Q99714 3/20 0.51
MEN1 O00255 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
ST6GAL1 P15907 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
CDK2 P24941 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
ALDH1A1 P00352 4/20 0.50

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
SCHEMBL117674 0.91 MAOB (0.50) ABCG2PPARGMAOBTUBB4ATUBB
SCHEMBL16150328 0.90 TP53 (0.58) KDM4EGAATP53MAPTRXFP1
SCHEMBL28516722 0.88 PPARG (0.53) KDM4ETP53MAPTABCG2KMT2A
SCHEMBL29410971 0.87 ADORA3 (0.61) MAPTABCG2PPARGTUBB4ATUBB
SCHEMBL118391 0.87 ADORA3 (0.61) MAPTABCG2PPARGTUBB4ATUBB
SCHEMBL15231797 0.86 KDM4E (0.62) KDM4EGAATP53MAPTABCG2
SCHEMBL17085407 0.85 MAPT (0.43) KDM4EGAATP53MAPTRXFP1
SCHEMBL4158840 0.84 TP53 (0.55) KDM4EGAATP53MAPTRXFP1
SCHEMBL1421821 0.84 PPARG (0.50) MAPTABCG2KMT2AMEN1CYP3A4
SCHEMBL7940149 0.84 PPARG (0.62) MAPTABCG2PPARG

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
EP-2424541-A2 PHOSPHORYLATED AND PHOSPHONATED PYRONE ANALOGS FOR THERAPEUTIC TREATMENT Limerick BioPharma, Inc. (US) 2012-03-07 EP 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 KDM4E 3745/4885GAA 570/4885TP53 2348/4885

“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.