SCHEMBL12200871

SCHEMBL12200871

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
NR1I2 O75469 2/20 0.36
PTGS2 P35354 2/20 0.36
PGR P06401 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 7/20 0.34
CYP19A1 P11511 4/20 0.34
MAPT P10636 4/20 0.34
PPARG P37231 3/20 0.34
OXER1 Q8TDS5 3/20 0.34
RXRA P19793 2/20 0.34
FFAR1 O14842 2/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34
PTGS1 P23219 3/20 0.33

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
SCHEMBL13845113 0.88 NR1I2 (0.35) GRIK1GRIK2ADORA3NR1I2PTGS2
SCHEMBL13090405 0.86 GRIK1 (0.32) GRIK1GRIK2ADORA3NR1I2PTGS2
SCHEMBL3068622 0.86 ALDH1A1 (0.41) GRIK1GRIK2ADORA3NR1I2PTGS2
SCHEMBL3068618 0.86 ALDH1A1 (0.41) GRIK1GRIK2ADORA3NR1I2PTGS2
SCHEMBL3208533 0.85 ADORA3 (0.40) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL442023 0.82 ADORA3 (0.47) GRIK1GRIK2ADORA3NR1I2PTGS2
SCHEMBL3205323 0.82 ADORA3 (0.47) GRIK1GRIK2ADORA3NR1I2PTGS2
SCHEMBL444331 0.82 ADORA3 (0.47) GRIK1GRIK2ADORA3NR1I2PTGS2
SCHEMBL3696782 0.82 ADORA3 (0.47) GRIK1GRIK2ADORA3NR1I2PTGS2
SCHEMBL3205311 0.82 ADORA3 (0.47) GRIK1GRIK2ADORA3NR1I2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034842-B2 Compounds PRONOVA BIOPHARMA NORGE AS (NO) 2011-10-11 US disclosed
US-20080300306-A1 Novel Compounds BRYHN MORTEN 2008-12-04 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 (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-20080300306-A1 Novel Compounds GPR119, FFAR2, ALOX12 GRIK1 2174/4885GRIK2 1389/4885ADORA3 730/4885

“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.