SCHEMBL441945

SCHEMBL441945

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(OCC)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.46
ADORA3 P0DMS8 2/20 0.46
NR1I2 O75469 2/20 0.46
PGR P06401 1/20 0.46
PDE4D Q08499 1/20 0.46
ALDH1A1 P00352 7/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
OXER1 Q8TDS5 5/20 0.38
CYP19A1 P11511 4/20 0.38
MAPT P10636 4/20 0.38
PPARG P37231 3/20 0.38
RXRA P19793 2/20 0.38
FFAR1 O14842 2/20 0.38
PPARA Q07869 3/20 0.38
PTGS1 P23219 3/20 0.36
F7 P08709 3/20 0.36

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
SCHEMBL3226490 1.00 PTGS2 (0.46) PTGS2ADORA3NR1I2PGRPDE4D
SCHEMBL3226480 1.00 PTGS2 (0.46) PTGS2ADORA3NR1I2PGRPDE4D
SCHEMBL13491259 0.95 ADORA3 (0.50) PTGS2ADORA3NR1I2PGRPDE4D
SCHEMBL3216691 0.89 ADORA3 (0.43) PTGS2ADORA3NR1I2PGRPDE4D
SCHEMBL27757362 0.89 ADORA3 (0.43) PTGS2ADORA3NR1I2PGRPDE4D
SCHEMBL3216696 0.89 ADORA3 (0.43) PTGS2ADORA3NR1I2PGRPDE4D
SCHEMBL3265006 0.86 ADORA3 (0.46) PTGS2ADORA3NR1I2PGRPDE4D
SCHEMBL3265008 0.86 ADORA3 (0.46) PTGS2ADORA3NR1I2PGRPDE4D
SCHEMBL444167 0.86 ADORA3 (0.46) PTGS2ADORA3NR1I2PGRPDE4D
SCHEMBL13491256 0.85 ADORA3 (0.47) PTGS2ADORA3NR1I2PGRPDE4D

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
US-20120065260-A1 NOVEL COMPOUNDS Pronova BioPhrma Norge AS 2012-03-15 US disclosed
US-20120065260-A1 NOVEL COMPOUNDS Pronova BioPhrma Norge AS 2012-03-15 US disclosed
US-8034842-B2 Compounds PRONOVA BIOPHARMA NORGE AS (NO) 2011-10-11 US disclosed
US-8034842-B2 Compounds PRONOVA BIOPHARMA NORGE AS (NO) 2011-10-11 US disclosed
US-20110166228-A1 COMPOSITION PRONOVA BIOPHARMA NORGE AS (NO) 2011-07-07 US disclosed
US-7550613-B2 alpha-methoxy docosahexanoic acid ethyl ester, alpha-iodo-docosahexanoic acid ethyl ester; antidiabetic for diabetes type 2, cardiovascular disorders, obesity, amyloidosis, prophylaxis; free of 4,7,10,13,16,19-docosahexanoic acid ( DHA), alpha-methyl DHA, alpha-methyl DHA-methyl ester PRONOVA BIOPHARMA NORGE AS (NO) 2009-06-23 US disclosed
US-7550613-B2 alpha-methoxy docosahexanoic acid ethyl ester, alpha-iodo-docosahexanoic acid ethyl ester; antidiabetic for diabetes type 2, cardiovascular disorders, obesity, amyloidosis, prophylaxis; free of 4,7,10,13,16,19-docosahexanoic acid ( DHA), alpha-methyl DHA, alpha-methyl DHA-methyl ester PRONOVA BIOPHARMA NORGE AS (NO) 2009-06-23 US disclosed
US-20080300306-A1 Novel Compounds BRYHN MORTEN 2008-12-04 US disclosed
US-20080300306-A1 Novel Compounds BRYHN MORTEN 2008-12-04 US disclosed
US-20070088170-A1 Novel compounds PRONOVA BIOPHARMA NORGE AS (NO) 2007-04-19 US disclosed
US-20070088170-A1 Novel compounds PRONOVA BIOPHARMA NORGE AS (NO) 2007-04-19 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 (4 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-20110166228-A1 COMPOSITION ELOVL3, FFAR3, ALOX5 PTGS2 640/4885ADORA3 209/4885NR1I2 597/4885
US-20070088170-A1 Novel compounds FFAR2, GPR119, ALOX12 PTGS2 334/4885ADORA3 756/4885NR1I2 273/4885
US-20080300306-A1 Novel Compounds GPR119, FFAR2, ALOX12 PTGS2 371/4885ADORA3 730/4885NR1I2 288/4885
US-20120065260-A1 NOVEL COMPOUNDS FFAR2, GPR119, ALOX12 PTGS2 334/4885ADORA3 756/4885NR1I2 273/4885

“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.