SCHEMBL2287130

SCHEMBL2287130

O=c1occcc1-c1ccc(O)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.57
ADORA3 P0DMS8 2/20 0.50
ADORA2A P29274 2/20 0.50
ADORA1 P30542 2/20 0.50
MIF P14174 2/20 0.49
XDH P47989 1/20 0.44
ALOX5 P09917 4/20 0.43
ERN1 O75460 1/20 0.41
PTGS2 P35354 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL28065277 0.79 ESR2 (0.45) ADORA3ADORA2AADORA1XDHMAPT
SCHEMBL27598165 0.73 ERN1 (0.64) APPALOX5ERN1MAPT
SCHEMBL29679522 0.73 ERN1 (0.64) APPALOX5ERN1MAPT
SCHEMBL812897 0.72 CTRC (0.48) MAPT
SCHEMBL2398844 0.71 KEAP1 (0.44) MIFXDHMAPT
SCHEMBL6689631 0.70 GSTP1 (0.48) MAPT
SCHEMBL28742545 0.70 APP (0.82) APPADORA3ADORA2AADORA1ALOX5
SCHEMBL284309 0.69
SCHEMBL28318997 0.69
SCHEMBL28143225 0.69 KDM4E (0.48) MAPT

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 5 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
EP-2182801-A1 PYRONE ANALOG COMPOSITIONS AND METHODS Limerick BioPharma, Inc. (US) 2010-05-12 EP 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 APP 1528/4885ADORA3 2658/4885ADORA2A 816/4885
US-20110190514-A1 PYRONE ANALOG COMPOSITIONS AND METHODS CYP11B2, CYP11B1, GLS2 APP 1528/4885ADORA3 2658/4885ADORA2A 816/4885

“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.