SCHEMBL12636899

SCHEMBL12636899

Cc1ccc(-c2cc(=O)c3c(O)cccc3o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 12/20 1.00
▸ CYP3A4 P08684 4/20 0.78
▸ MAPT P10636 4/20 0.78
▸ MEN1 O00255 3/20 0.78
▸ KMT2A Q03164 3/20 0.78
▸ MAPK1 P28482 2/20 0.78
▸ RAF1 P04049 1/20 0.78
▸ HPGD P15428 1/20 0.78
▸ ALOX15 P16050 2/20 0.75
▸ ALDH1A1 P00352 1/20 0.75
▸ CYP1A1 P04798 1/20 0.75
▸ CYP1A2 P05177 1/20 0.75
▸ PKM P14618 1/20 0.75
▸ SMN1; SMN2 Q16637 1/20 0.75
▸ CYP1B1 Q16678 1/20 0.75
▸ FTO Q9C0B1 1/20 0.75
▸ KDM4E B2RXH2 1/20 0.71
▸ ALOX5 P09917 1/20 0.71
▸ CYP2C9 P11712 1/20 0.71
▸ ALOX12 P18054 1/20 0.71

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
SCHEMBL157490 0.88 AR (1.00) ARCYP3A4MAPTMEN1KMT2A
5-Hydroxyflavone SCHEMBL30630415 0.86 AR (1.00) ARCYP3A4MAPTMEN1KMT2A
5-Hydroxyflavone SCHEMBL2390993 0.86 AR (1.00) ARCYP3A4MAPTMEN1KMT2A
5-Hydroxyflavone SCHEMBL158303 0.86 AR (1.00) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL20602392 0.85 CYP3A4 (0.76) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL14145325 0.85 CYP3A4 (0.76) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL6097859 0.85 AR (1.00) ARCYP3A4MAPTMEN1KMT2A
SCHEMBL25449242 0.84 AR (0.73) ARCYP3A4MAPTMEN1KMT2A
5-Hydroxyflavone SCHEMBL2390943 0.84 AR (0.97) ARCYP3A4MAPTMEN1KMT2A
5-Hydroxyflavone SCHEMBL28317755 0.84 AR (0.97) ARCYP3A4MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947733-B2 Phosphorylated pyrone analogs and methods LIMERICK BIOPHARMA (US) 2011-05-24 — — 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 (7 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 AR 978/4885CYP3A4 708/4885MAPT 1784/4885
US-20090258939-A1 PYRONE ANALOG COMPOSITIONS AND METHODS CYP11B2, CYP11B1, GLS2 AR 1167/4885CYP3A4 718/4885MAPT 2788/4885
US-20090325906-A1 Methods and compositions for therapeutic treatment SLC2A1, SLC2A2, SLC2A3 AR 4257/4885CYP3A4 3140/4885MAPT 2244/4885
US-20100189653-A1 Pyrone analogs for therapeutic treatment PC, GLS2, CYP27A1 AR 2799/4885CYP3A4 718/4885MAPT 3238/4885
US-20100144612-A1 PHOSPHORYLATED PYRONE ANALOGS AND METHODS PCK1, PC, PCK2 AR 978/4885CYP3A4 708/4885MAPT 1784/4885
US-20100204089-A1 PHOSPHORYLATED PYRONE ANALOGS AND METHODS PCK1, PC, PCK2 AR 978/4885CYP3A4 708/4885MAPT 1784/4885
US-20090082400-A1 SOLUBLE PYRONE ANALOGS METHODS AND COMPOSITIONS PGF, ABCG2, PYGB AR 4560/4885CYP3A4 111/4885MAPT 1698/4885

“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.

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