SCHEMBL4694568

SCHEMBL4694568

CC(=O)c1[c]c2ccocc-2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA2B P29275 2/20 0.37
CNR2 P34972 1/20 0.33
ERN1 O75460 3/20 0.33
FYN P06241 1/20 0.32
ADORA1 P30542 2/20 0.32
TOP2A P11388 1/20 0.31
NR4A2 P43354 1/20 0.31
P2RY14 Q15391 1/20 0.31
PTGER2 P43116 1/20 0.31
MMP2 P08253 1/20 0.31
PPARG P37231 1/20 0.30
TRPA1 O75762 1/20 0.30
BRD4 O60885 1/20 0.30
BRD2 P25440 1/20 0.30
CREBBP Q92793 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
PLAU P00749 1/20 0.30

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
SCHEMBL5247315 0.86 ADORA2A (0.37) ADORA2AADORA3ADORA2BCNR2ERN1
SCHEMBL15577115 0.82 ALOX5 (0.34) ADORA2AADORA3ADORA2BCNR2ERN1
SCHEMBL6334980 0.81 ADORA2A (0.35) ADORA2AADORA3ADORA2BCNR2ERN1
SCHEMBL4478147 0.73 CYP1A2 (0.31)
SCHEMBL4477931 0.69 CSNK2A1 (0.34)
SCHEMBL4463886 0.69 ERN1 (0.33) ERN1
SCHEMBL6336378 0.69 ERN1 (0.30) ADORA2BERN1ADORA1
SCHEMBL4473652 0.69 CYP1A1 (0.35) ERN1FYNPPARGPLAU
SCHEMBL5737770 0.68 ADORA2A (0.46) ADORA2AADORA3ADORA2BCNR2ERN1
SCHEMBL17592087 0.66 ERN1 (0.33) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646626-B1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2008-07-02 EP claimed
US-20060235015-A1 Pyrrole-2,5-dione derivatives as liver x receptor modulators ASTRAZENECA AB (SE) 2006-10-19 US claimed
CN-1823061-A Pyrrole-2, 5-dione derivatives as liver X receptor modulators ASTRAZENECA AB (SE) 2006-08-23 CN claimed
EP-1646626-A1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-04-19 EP claimed
WO-2005005417-A1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-01-20 WO claimed
US-7432288-B2 Pyrrole-2,5-dione derivatives as Liver X receptor modulators ASTRAZENECA AB (SE) 2008-10-07 US disclosed
EP-1646626-B1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2008-07-02 EP disclosed
US-20060235015-A1 Pyrrole-2,5-dione derivatives as liver x receptor modulators ASTRAZENECA AB (SE) 2006-10-19 US disclosed
CN-1823061-A Pyrrole-2, 5-dione derivatives as liver X receptor modulators ASTRAZENECA AB (SE) 2006-08-23 CN disclosed
EP-1646626-A1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-04-19 EP disclosed
WO-2005005417-A1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-01-20 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 (1 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-20060235015-A1 Pyrrole-2,5-dione derivatives as liver x receptor modulators NR1H2, NR1H3, SREBF2 ADORA2A 1167/4885ADORA3 2048/4885ADORA2B 2378/4885

“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.