SCHEMBL12378900

SCHEMBL12378900

Cc1cccc2oc(-c3ccc(O)c(O)c3)cc(=O)c12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.76
POLH Q9Y253 5/20 0.76
CYP3A4 P08684 5/20 0.76
KDM4E B2RXH2 4/20 0.76
MEN1 O00255 4/20 0.76
KMT2A Q03164 4/20 0.76
ALOX5 P09917 3/20 0.76
ALOX15 P16050 3/20 0.76
HSD17B10 Q99714 3/20 0.76
IP6K2 Q9UHH9 3/20 0.76
MAPK1 P28482 3/20 0.76
RECQL P46063 3/20 0.76
CYP2C9 P11712 2/20 0.76
ALOX12 P18054 2/20 0.76
CYP2C19 P33261 2/20 0.76
HPGD P15428 3/20 0.63
TNKS O95271 2/20 0.63
ALDH1A1 P00352 2/20 0.63
PARP1 P09874 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63

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
SCHEMBL3817277 0.87 CYP3A4 (1.00) MAPTPOLHCYP3A4KDM4EMEN1
SCHEMBL30591245 0.87 CYP3A4 (1.00) MAPTPOLHCYP3A4KDM4EMEN1
SCHEMBL15850944 0.84 POLH (0.77) MAPTPOLHCYP3A4KDM4EMEN1
SCHEMBL14145325 0.83 CYP3A4 (0.76) MAPTPOLHCYP3A4KDM4EMEN1
SCHEMBL20602392 0.83 CYP3A4 (0.76) MAPTPOLHCYP3A4KDM4EMEN1
SCHEMBL25449242 0.82 AR (0.73) MAPTCYP3A4KDM4EMEN1KMT2A
SCHEMBL31303695 0.80 CYP3A4 (0.67) MAPTPOLHCYP3A4KDM4EMEN1
SCHEMBL9138573 0.80 CYP3A4 (0.67) MAPTPOLHCYP3A4KDM4EMEN1
SCHEMBL10026574 0.80 POLH (0.74) MAPTPOLHCYP3A4KDM4EMEN1
SCHEMBL5981301 0.79 ABCB1 (0.73) MAPTPOLHCYP3A4KDM4EMEN1

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 MAPT 2788/4885POLH 1682/4885CYP3A4 718/4885
US-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS CYP11B2, CYP11B1, GLS2 MAPT 2788/4885POLH 1682/4885CYP3A4 718/4885

“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.