SCHEMBL12378872

SCHEMBL12378872

Cc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.73
KMT2A Q03164 9/20 0.73
CYP1A2 P05177 8/20 0.73
ABCB1 P08183 8/20 0.73
CYP1A1 P04798 7/20 0.73
CYP1B1 Q16678 7/20 0.73
CYP3A4 P08684 7/20 0.73
CYP2C9 P11712 6/20 0.73
XDH P47989 6/20 0.73
FTO Q9C0B1 6/20 0.73
KDM4E B2RXH2 6/20 0.73
HSD17B10 Q99714 6/20 0.73
MAPT P10636 6/20 0.73
APP P05067 6/20 0.73
ALOX15 P16050 5/20 0.73
IPMK Q8NFU5 5/20 0.73
IP6K2 Q9UHH9 5/20 0.73
TDP1 Q9NUW8 5/20 0.73
RECQL P46063 5/20 0.73
HIF1A Q16665 4/20 0.73

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
SCHEMBL9288825 0.92 MEN1 (0.78) MEN1KMT2ACYP1A2ABCB1CYP1A1
SCHEMBL12378831 0.92 MEN1 (0.78) MEN1KMT2ACYP1A2ABCB1CYP1A1
SCHEMBL14254533 0.89 MEN1 (0.58) MEN1KMT2ACYP1A2ABCB1CYP1A1
SCHEMBL13056253 0.89 POLH (0.78) MEN1KMT2ACYP1A2ABCB1CYP1A1
SCHEMBL18367522 0.86 MEN1 (0.82) MEN1KMT2ACYP1A2ABCB1CYP1A1
SCHEMBL8042944 0.86 ABCB1 (0.81) MEN1KMT2ACYP1A2ABCB1CYP1A1
Quercetin SCHEMBL27746111 0.85 MEN1 (0.94) MEN1KMT2ACYP1A2ABCB1CYP1A1
SCHEMBL7929171 0.85 MEN1 (0.81) MEN1KMT2ACYP1A2ABCB1CYP1A1
Quercetin SCHEMBL17629824 0.85 MEN1 (1.00) MEN1KMT2ACYP1A2ABCB1CYP1A1
Quercetin SCHEMBL31507620 0.85 MEN1 (1.00) MEN1KMT2ACYP1A2ABCB1CYP1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2011-08-04 US disclosed
US-7947733-B2 Phosphorylated pyrone analogs and methods LIMERICK BIOPHARMA (US) 2011-05-24 US disclosed
US-20110028437-A1 PHOSPHORYLATED PYRONE ANALOGS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2011-02-03 US disclosed
US-20100297020-A1 PHOSPHORYLATED AND PHOSPHONATED PYRONE ANALOGS FOR THERAPEUTIC TREATMENT LIMERICK BIOPHARMA, INC. (US) 2010-11-25 US disclosed
US-20100204089-A1 PHOSPHORYLATED PYRONE ANALOGS AND METHODS LIMERICK BIOPHARMA, INC. 2010-08-12 US disclosed
US-20100189653-A1 Pyrone analogs for therapeutic treatment LIMERICK BIOPHARMA, INC. 2010-07-29 US disclosed
US-20100144612-A1 PHOSPHORYLATED PYRONE ANALOGS AND METHODS LIMERICK BIOPHARMA, INC. 2010-06-10 US disclosed
US-20090325906-A1 Methods and compositions for therapeutic treatment LIMERICK BIOPHARMA, INC. 2009-12-31 US disclosed
US-20090258939-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. 2009-10-15 US disclosed
US-20090082400-A1 SOLUBLE PYRONE ANALOGS METHODS AND COMPOSITIONS LIMERICK BIOPHARMA, INC. 2009-03-26 US disclosed
US-20090069273-A1 PHOSPHORYLATED PYRONE ANALOGS AND METHODS LIMERICK BIOPHARMA, INC. 2009-03-12 US 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 (10 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-20090069273-A1 PHOSPHORYLATED PYRONE ANALOGS AND METHODS PCK1, PC, PCK2 MEN1 4072/4885KMT2A 3401/4885CYP1A2 832/4885
US-20090258939-A1 PYRONE ANALOG COMPOSITIONS AND METHODS CYP11B2, CYP11B1, GLS2 MEN1 535/4885KMT2A 4673/4885CYP1A2 817/4885
US-20090325906-A1 Methods and compositions for therapeutic treatment SLC2A1, SLC2A2, SLC2A3 MEN1 4409/4885KMT2A 4599/4885CYP1A2 3381/4885
US-20100297020-A1 PHOSPHORYLATED AND PHOSPHONATED PYRONE ANALOGS FOR THERAPEUTIC TREATMENT PC, PCK1, PYGL MEN1 2302/4885KMT2A 4512/4885CYP1A2 2311/4885
US-20100189653-A1 Pyrone analogs for therapeutic treatment PC, GLS2, CYP27A1 MEN1 1731/4885KMT2A 4385/4885CYP1A2 614/4885
US-20110028437-A1 PHOSPHORYLATED PYRONE ANALOGS AND METHODS PCK1, PC, PCK2 MEN1 4072/4885KMT2A 3401/4885CYP1A2 832/4885
US-20100144612-A1 PHOSPHORYLATED PYRONE ANALOGS AND METHODS PCK1, PC, PCK2 MEN1 4072/4885KMT2A 3401/4885CYP1A2 832/4885
US-20100204089-A1 PHOSPHORYLATED PYRONE ANALOGS AND METHODS PCK1, PC, PCK2 MEN1 4072/4885KMT2A 3401/4885CYP1A2 832/4885
US-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS CYP11B2, CYP11B1, GLS2 MEN1 535/4885KMT2A 4673/4885CYP1A2 817/4885
US-20090082400-A1 SOLUBLE PYRONE ANALOGS METHODS AND COMPOSITIONS PGF, ABCG2, PYGB MEN1 3857/4885KMT2A 4497/4885CYP1A2 97/4885

“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.