SCHEMBL117527

SCHEMBL117527

O=c1c(O)c(-c2ccc(OP(=O)(O)O)c(O)c2)oc2cc(O)cc(O)c12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.73
CYP1A1 P04798 7/20 0.73
CYP1B1 Q16678 7/20 0.73
MEN1 O00255 10/20 0.67
KMT2A Q03164 10/20 0.67
XDH P47989 7/20 0.67
CYP3A4 P08684 7/20 0.67
ABCB1 P08183 7/20 0.67
CYP2C9 P11712 6/20 0.67
KDM4E B2RXH2 6/20 0.67
HSD17B10 Q99714 6/20 0.67
FTO Q9C0B1 6/20 0.67
MAPT P10636 6/20 0.67
ALOX15 P16050 5/20 0.67
IPMK Q8NFU5 5/20 0.67
IP6K2 Q9UHH9 5/20 0.67
AKR1B1 P15121 5/20 0.67
RECQL P46063 5/20 0.67
APP P05067 5/20 0.67
TDP1 Q9NUW8 5/20 0.67

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
SCHEMBL118117 0.91 CYP1A2 (0.73) CYP1A2CYP1A1CYP1B1MEN1KMT2A
Quercetin-3'-O-Phosphate SCHEMBL30814958 0.91 CYP1A2 (0.73) CYP1A2CYP1A1CYP1B1MEN1KMT2A
Quercetin-3'-O-Phosphate SCHEMBL118113 0.91 CYP1A2 (0.73) CYP1A2CYP1A1CYP1B1MEN1KMT2A
Quercetin-3'-O-Phosphate SCHEMBL30299021 0.91 CYP1A2 (0.73) CYP1A2CYP1A1CYP1B1MEN1KMT2A
SCHEMBL3807705 0.90 CYP1A2 (0.75) CYP1A2CYP1A1CYP1B1MEN1KMT2A
SCHEMBL19197066 0.88 CYP1A2 (0.65) CYP1A2CYP1A1CYP1B1MEN1KMT2A
SCHEMBL19470004 0.86 CYP1A2 (0.72) CYP1A2CYP1A1CYP1B1MEN1KMT2A
SCHEMBL13056264 0.85 CYP1A2 (0.69) CYP1A2CYP1A1CYP1B1MEN1KMT2A
Quercetin SCHEMBL4473370 0.85 MEN1 (0.74) CYP1A2CYP1A1CYP1B1MEN1KMT2A
Tamarixetin SCHEMBL892776 0.84 CYP1A2 (1.00) CYP1A2CYP1A1CYP1B1MEN1KMT2A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2355814-A2 PYRONES FOR THE TREATMENT OF METABOLIC DISORDERS Limerick BioPharma, Inc. (US) 2011-08-17 EP claimed
EP-2182957-A2 PHOSPHORYLATED PYRONE ANALOGS AND METHODS Limerick BioPharma, Inc. (US) 2010-05-12 EP claimed
WO-2010042886-A2 PYRONE ANALOGS FOR THERAPEUTIC TREATMENT LIMERICK BIOPHARMA, INC. (US) 2010-04-15 WO claimed
US-20090069273-A1 PHOSPHORYLATED PYRONE ANALOGS AND METHODS LIMERICK BIOPHARMA, INC. 2009-03-12 US claimed
WO-2009018338-A2 PHOSPHORYLATED PYRONE ANALOGS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2009-02-05 WO claimed
US-10421768-B2 Method of biotransformation of benzopyrone compounds into the corresponding phosphate-conjugated derivatives NATIONAL TAIWAN UNIVERSITY (TW) 2019-09-24 US disclosed
US-10421768-B2 Method of biotransformation of benzopyrone compounds into the corresponding phosphate-conjugated derivatives NATIONAL TAIWAN UNIVERSITY (TW) 2019-09-24 US disclosed
US-20170305944-A1 METHOD OF BIOTRANSFORMATION OF BENZOPYRONE COMPOUNDS INTO THE CORRESPONDING PHOSPHATE-CONJUGATED DERIVATIVES NATIONAL TAIWAN UNIVERSITY (TW) 2017-10-26 US disclosed
US-20170305944-A1 METHOD OF BIOTRANSFORMATION OF BENZOPYRONE COMPOUNDS INTO THE CORRESPONDING PHOSPHATE-CONJUGATED DERIVATIVES NATIONAL TAIWAN UNIVERSITY (TW) 2017-10-26 US disclosed
US-20170305944-A1 METHOD OF BIOTRANSFORMATION OF BENZOPYRONE COMPOUNDS INTO THE CORRESPONDING PHOSPHATE-CONJUGATED DERIVATIVES NATIONAL TAIWAN UNIVERSITY (TW) 2017-10-26 US disclosed
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
EP-2182957-A2 PHOSPHORYLATED PYRONE ANALOGS AND METHODS Limerick BioPharma, Inc. (US) 2010-05-12 EP disclosed
WO-2010042886-A2 PYRONE ANALOGS FOR THERAPEUTIC TREATMENT LIMERICK BIOPHARMA, INC. (US) 2010-04-15 WO disclosed
US-20090325906-A1 Methods and compositions for therapeutic treatment LIMERICK BIOPHARMA, INC. 2009-12-31 US disclosed
US-20090325906-A1 Methods and compositions for therapeutic treatment LIMERICK BIOPHARMA, INC. 2009-12-31 US disclosed
WO-2009158031-A2 METHODS AND COMPOSITIONS FOR THERAPEUTIC TREATMENT LIMERICK BIOPHARMA, INC. (US) 2009-12-30 WO disclosed
WO-2009158007-A2 METHODS AND COMPOSITIONS FOR THERAPEUTIC TREATMENT LIMERICK BIOPHARMA, INC. (US) 2009-12-30 WO disclosed
US-20090069273-A1 PHOSPHORYLATED PYRONE ANALOGS AND METHODS LIMERICK BIOPHARMA, INC. 2009-03-12 US disclosed
WO-2009018338-A2 PHOSPHORYLATED PYRONE ANALOGS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2009-02-05 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 (4 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 CYP1A2 832/4885CYP1A1 802/4885CYP1B1 991/4885
US-10421768-B2 Method of biotransformation of benzopyrone compounds into the corresponding phosphate-conjugated derivatives BPGM, PNKP, DHPS CYP1A2 82/4885CYP1A1 171/4885CYP1B1 123/4885
US-20090325906-A1 Methods and compositions for therapeutic treatment SLC2A1, SLC2A2, SLC2A3 CYP1A2 3381/4885CYP1A1 4274/4885CYP1B1 3991/4885
US-20170305944-A1 METHOD OF BIOTRANSFORMATION OF BENZOPYRONE COMPOUNDS INTO THE CORRESPONDING PHOSPHATE-CONJUGATED DERIVATIVES BPGM, PNKP, DHPS CYP1A2 82/4885CYP1A1 171/4885CYP1B1 123/4885

“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.