SCHEMBL2140259

SCHEMBL2140259

CCOC(COc1ccc(CO)cc1)OCC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.42
LTA4H P09960 1/20 0.40
NQO1 P15559 1/20 0.40
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
PPARG P37231 3/20 0.38
PPARD Q03181 3/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
FFAR1 O14842 2/20 0.37

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
SCHEMBL1244852 0.86 CYP4F2 (0.42) PPARALTA4HPPARGHRH3
SCHEMBL17400983 0.85 NQO1 (0.43) PPARANQO1
SCHEMBL17400969 0.83 NQO1 (0.61) LTA4HNQO1TSHR
SCHEMBL7362624 0.82 NQO1 (0.40) PPARANQO1TSHRPPARGPPARD
SCHEMBL4738404 0.81 CYP2C9 (0.49) PPARALTA4HCYP2C9TSHRPPARG
SCHEMBL16519363 0.81 NQO1 (0.46) LTA4HNQO1CYP2C9TSHR
SCHEMBL7442362 0.80 PLA2G4B (0.49) PPARAFFAR1
SCHEMBL2141053 0.80 TSHR (0.44) PPARATSHRPPARGFFAR1
SCHEMBL1951190 0.79 CYP2C9 (0.50) NQO1CYP2C9TSHR
SCHEMBL5779539 0.79 USP2 (0.45) PPARANQO1CYP2C9TSHRPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 US disclosed
EP-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 EP disclosed
WO-2010067102-A1 DIAZASPIRO [5.5] UNDECANE DERIVATIVES AND RELATED COMPOUNDS AS MUSCARINIC-RECEPTOR ANTAGONISTS AND BETA-ADRENORECEPTOR AGONISTS FOR THE TREATMENT OF PULMONARY DISORDERS ASTRAZENECA AB (SE) 2010-06-17 WO disclosed
WO-2010067102-A1 DIAZASPIRO [5.5] UNDECANE DERIVATIVES AND RELATED COMPOUNDS AS MUSCARINIC-RECEPTOR ANTAGONISTS AND BETA-ADRENORECEPTOR AGONISTS FOR THE TREATMENT OF PULMONARY DISORDERS ASTRAZENECA AB (SE) 2010-06-17 WO disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 WO disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 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-20120322788-A1 Compouds PKD1, SBDS, ABCB11 PPARA 936/4885LTA4H 3169/4885NQO1 125/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 PPARA 239/4885LTA4H 1897/4885NQO1 68/4885

“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.