SCHEMBL3718644

SCHEMBL3718644

CP(=O)(O)OOc1cc(-c2oc3cc(O)ccc3c(=O)c2O)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.71
KMT2A Q03164 11/20 0.71
MAPT P10636 11/20 0.71
KDM4E B2RXH2 9/20 0.71
CYP3A4 P08684 9/20 0.71
HSD17B10 Q99714 9/20 0.71
TP53 P04637 8/20 0.71
CASP1 P29466 6/20 0.71
CASP7 P55210 6/20 0.71
ALDH1A1 P00352 6/20 0.71
HPGD P15428 6/20 0.71
MAPK1 P28482 4/20 0.71
ALOX15 P16050 4/20 0.71
LMNA P02545 3/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
ABCB1 P08183 1/20 0.62
CYP2C9 P11712 5/20 0.62
RECQL P46063 3/20 0.62
CDK5 Q00535 2/20 0.62
CDK5R1 Q15078 2/20 0.62

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
SCHEMBL3718642 0.93 MEN1 (0.72) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL3807701 0.85 CYP1A2 (0.71) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL119655 0.84 MEN1 (0.73) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL119654 0.83 MEN1 (0.74) MEN1KMT2AMAPTKDM4ECYP3A4
Geraldol SCHEMBL620712 0.83 MEN1 (1.00) MEN1KMT2AMAPTKDM4ECYP3A4
Geraldol SCHEMBL31122383 0.83 MEN1 (1.00) MEN1KMT2AMAPTKDM4ECYP3A4
Geraldol SCHEMBL29394734 0.83 MEN1 (1.00) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL3715897 0.82 MEN1 (0.69) MEN1KMT2AMAPTKDM4ECYP3A4
Fisetin SCHEMBL4466733 0.81 MEN1 (0.90) MEN1KMT2AMAPTKDM4ECYP3A4
SCHEMBL116493 0.81 MEN1 (0.67) MEN1KMT2AMAPTKDM4ECYP3A4

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 2 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
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 4512/4885MAPT 2712/4885

“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.