SCHEMBL119445

SCHEMBL119445

O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(OCP(=O)(O)O)c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.60
KMT2A Q03164 8/20 0.60
ABCB1 P08183 8/20 0.60
CYP3A4 P08684 6/20 0.60
CYP1A1 P04798 6/20 0.60
CYP1A2 P05177 6/20 0.60
CYP1B1 Q16678 6/20 0.60
MAPT P10636 5/20 0.60
FTO Q9C0B1 4/20 0.60
CA12 O43570 4/20 0.60
PPARG P37231 4/20 0.60
CA7 P43166 4/20 0.60
XDH P47989 4/20 0.60
BCHE P06276 3/20 0.60
CYP2D6 P10635 3/20 0.60
CYP2C9 P11712 3/20 0.60
ACHE P22303 3/20 0.60
CYP2C19 P33261 3/20 0.60
TRPC5 Q9UL62 3/20 0.60
MAOA P21397 3/20 0.60

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
SCHEMBL13056298 0.86 ABCB1 (0.55) MEN1KMT2AABCB1CYP3A4CYP1A1
SCHEMBL119434 0.84 MEN1 (0.64) MEN1KMT2AABCB1CYP3A4CYP1A1
SCHEMBL5133662 0.81 NOX4 (0.73) MEN1KMT2AABCB1CYP3A4CYP1A1
SCHEMBL118852 0.81 ABCB1 (0.56) MEN1KMT2AABCB1CYP3A4CYP1A1
SCHEMBL3755551 0.80 MEN1 (0.69) MEN1KMT2AABCB1CYP3A4CYP1A1
SCHEMBL13056264 0.80 CYP1A2 (0.69) MEN1KMT2AABCB1CYP3A4CYP1A1
SCHEMBL120585 0.80 CYP1A2 (0.67) MEN1KMT2AABCB1CYP3A4CYP1A1
Galangin SCHEMBL117225 0.76 MEN1 (1.00) MEN1KMT2AABCB1CYP3A4CYP1A1
Galangin SCHEMBL29393121 0.76 MEN1 (1.00) MEN1KMT2AABCB1CYP3A4CYP1A1
SCHEMBL13056280 0.76 MEN1 (0.52) MEN1KMT2AABCB1CYP3A4CYP1A1

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
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
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 4512/4885ABCB1 1417/4885

“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.