SCHEMBL6095495

SCHEMBL6095495

COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(C)c1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.76
AKR1B1 P15121 2/20 0.76
MAPK8 P45983 1/20 0.76
CYP1B1 Q16678 6/20 0.69
MAPT P10636 6/20 0.69
CYP1A1 P04798 5/20 0.69
CYP1A2 P05177 4/20 0.69
MEN1 O00255 4/20 0.69
ALDH1A1 P00352 4/20 0.69
KMT2A Q03164 4/20 0.69
ABCC1 P33527 3/20 0.69
POLB P06746 3/20 0.69
IP6K2 Q9UHH9 3/20 0.65
XDH P47989 2/20 0.65
IPMK Q8NFU5 2/20 0.65
HDAC6 Q9UBN7 2/20 0.65
KDM1A O60341 1/20 0.65
QPCT Q16769 2/20 0.61
KDM4E B2RXH2 4/20 0.61
CYP3A4 P08684 3/20 0.61

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
SCHEMBL4918477 0.93 MAOA (0.83) MAOAAKR1B1MAPK8CYP1B1MAPT
SCHEMBL29574485 0.90 MAOA (0.79) MAOAAKR1B1MAPK8CYP1B1MAPT
Tricin SCHEMBL44475 0.86 MAOA (1.00) MAOAAKR1B1MAPK8CYP1B1MAPT
Tricin SCHEMBL29712335 0.86 MAOA (1.00) MAOAAKR1B1MAPK8CYP1B1MAPT
Tricin SCHEMBL10809395 0.85 MAOA (0.97) MAOAAKR1B1MAPK8CYP1B1MAPT
Corymbosin SCHEMBL1976826 0.85 ABCB1 (0.78) MAOAAKR1B1MAPK8CYP1B1MAPT
Corymbosin SCHEMBL29426420 0.85 ABCB1 (0.78) MAOAAKR1B1MAPK8CYP1B1MAPT
SCHEMBL12378833 0.85 MAOA (0.92) MAOAAKR1B1MAPK8CYP1B1MAPT
SCHEMBL29576775 0.85 MAOA (0.92) MAOAAKR1B1MAPK8CYP1B1MAPT
SCHEMBL16894650 0.84 ABCB1 (0.76) MAOAAKR1B1MAPK8CYP1B1MAPT

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-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2011-08-04 US disclosed
US-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2011-08-04 US disclosed
US-20090258939-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. 2009-10-15 US disclosed
US-20090258939-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. 2009-10-15 US disclosed
WO-2009018320-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2009-02-05 WO disclosed
WO-2009018350-A1 PYRONE ANALOG COMPOSITIONS AND METHODS LIMERICK BIOPHARMA, INC. (US) 2009-02-05 WO disclosed
US-7009062-B2 Process for the preparation of flavone derivatives MERCK PATENT GMBH (DE) 2006-03-07 US disclosed
US-20040059100-A1 Process for the preparation of flavone derivatives EUROPEAN BRAND PARTICIPATIONS SA (LU) 2004-03-25 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 (3 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-20090258939-A1 PYRONE ANALOG COMPOSITIONS AND METHODS CYP11B2, CYP11B1, GLS2 MAOA 3610/4885AKR1B1 1076/4885MAPK8 1493/4885
US-20040059100-A1 Process for the preparation of flavone derivatives HK2, MAP2K5, MAP2K4 MAOA 606/4885AKR1B1 209/4885MAPK8 428/4885
US-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS CYP11B2, CYP11B1, GLS2 MAOA 3610/4885AKR1B1 1076/4885MAPK8 1493/4885

“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.