SCHEMBL3724874

SCHEMBL3724874

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ABCG2 Q9UNQ0 9/20 0.49
KDM4E B2RXH2 4/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ACE2 Q9BYF1 2/20 0.44
PPARG P37231 1/20 0.44
KCNA3 P22001 1/20 0.43
ABCB1 P08183 3/20 0.42
ABCC1 P33527 1/20 0.42

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
SCHEMBL3723524 0.97 TP53 (0.53) TP53MAPTRXFP1ABCG2KDM4E
SCHEMBL3718620 0.92 ABCG2 (0.46) TP53MAPTRXFP1ABCG2ACE2
SCHEMBL16150328 0.91 TP53 (0.58) TP53MAPTRXFP1ABCG2KDM4E
SCHEMBL3759824 0.89 MAOB (0.46) TP53MAPTRXFP1ABCG2KDM4E
SCHEMBL119974 0.87 ACE2 (0.60) MAPTABCG2ACE2PPARGABCB1
SCHEMBL13056294 0.87 MAPT (0.53) TP53MAPTRXFP1ABCG2KDM4E
SCHEMBL4158840 0.85 TP53 (0.55) TP53MAPTRXFP1ABCG2KDM4E
SCHEMBL4167438 0.85 KDM4E (0.67) TP53MAPTRXFP1ABCG2KDM4E
SCHEMBL13056297 0.83 MAPT (0.54) TP53MAPTRXFP1ABCG2KDM4E
SCHEMBL4167435 0.83 ABCG2 (0.70) TP53MAPTRXFP1ABCG2KDM4E

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 3 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
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 TP53 2348/4885MAPT 2712/4885RXFP1 2690/4885

“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.