SCHEMBL119654

SCHEMBL119654

O=c1c(O)c(-c2ccc(O)c(OP(=O)(Oc3cc(-c4oc5cc(O)ccc5c(=O)c4O)ccc3O)Oc3cc(-c4oc5cc(O)ccc5c(=O)c4O)ccc3O)c2)oc2cc(O)ccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.74
KMT2A Q03164 13/20 0.74
CYP3A4 P08684 11/20 0.74
HSD17B10 Q99714 11/20 0.74
MAPT P10636 11/20 0.74
KDM4E B2RXH2 10/20 0.74
TP53 P04637 8/20 0.74
ALDH1A1 P00352 8/20 0.74
HPGD P15428 8/20 0.74
CASP1 P29466 6/20 0.74
CASP7 P55210 6/20 0.74
MAPK1 P28482 6/20 0.74
ALOX15 P16050 6/20 0.74
LMNA P02545 4/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
CYP2C9 P11712 6/20 0.69
RECQL P46063 4/20 0.69
CDK5 Q00535 3/20 0.69
CDK5R1 Q15078 3/20 0.69
XDH P47989 3/20 0.69

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
SCHEMBL119655 0.92 MEN1 (0.73) MEN1KMT2ACYP3A4HSD17B10MAPT
SCHEMBL13056278 0.88 MEN1 (0.61) MEN1KMT2ACYP3A4HSD17B10MAPT
SCHEMBL13076836 0.87 MEN1 (0.63) MEN1KMT2ACYP3A4HSD17B10MAPT
Geraldol SCHEMBL29394734 0.85 MEN1 (1.00) MEN1KMT2ACYP3A4HSD17B10MAPT
Geraldol SCHEMBL620712 0.85 MEN1 (1.00) MEN1KMT2ACYP3A4HSD17B10MAPT
Geraldol SCHEMBL31122383 0.85 MEN1 (1.00) MEN1KMT2ACYP3A4HSD17B10MAPT
SCHEMBL3718642 0.84 MEN1 (0.72) MEN1KMT2ACYP3A4HSD17B10MAPT
SCHEMBL3715897 0.84 MEN1 (0.69) MEN1KMT2ACYP3A4HSD17B10MAPT
SCHEMBL3718644 0.83 MEN1 (0.71) MEN1KMT2ACYP3A4HSD17B10MAPT
Fisetin SCHEMBL4466733 0.83 MEN1 (0.90) MEN1KMT2ACYP3A4HSD17B10MAPT

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 6 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
EP-2355814-A2 PYRONES FOR THE TREATMENT OF METABOLIC DISORDERS Limerick BioPharma, Inc. (US) 2011-08-17 EP 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
US-20100189653-A1 Pyrone analogs for therapeutic treatment LIMERICK BIOPHARMA, INC. 2010-07-29 US disclosed
WO-2010042886-A2 PYRONE ANALOGS FOR THERAPEUTIC TREATMENT LIMERICK BIOPHARMA, INC. (US) 2010-04-15 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 (2 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 4512/4885CYP3A4 2300/4885
US-20100189653-A1 Pyrone analogs for therapeutic treatment PC, GLS2, CYP27A1 MEN1 1731/4885KMT2A 4385/4885CYP3A4 718/4885

“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.