SCHEMBL3222828

SCHEMBL3222828

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(OC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
CYP19A1 P11511 4/20 0.50
MAPT P10636 4/20 0.50
PPARG P37231 3/20 0.50
OXER1 Q8TDS5 3/20 0.50
RXRA P19793 2/20 0.50
FFAR1 O14842 2/20 0.50
PTGS1 P23219 4/20 0.47
F7 P08709 3/20 0.47
F3 P13726 3/20 0.47
PPARA Q07869 3/20 0.47
KMT2A Q03164 2/20 0.47
PPARD Q03181 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
NR1I2 O75469 2/20 0.45
PTGS2 P35354 2/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL3221816 0.89 ALDH1A1 (0.53) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL3214621 0.87 ALDH1A1 (0.55) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL3212868 0.87 ALDH1A1 (0.55) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL18944747 0.85 PPARG (0.54) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL3221779 0.85 ALDH1A1 (0.49) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL3261154 0.85 PTGS1 (0.49) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL3261151 0.85 PTGS1 (0.49) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL2879036 0.83 ADORA3 (0.51) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL4456986 0.82 ALDH1A1 (0.44) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL3204814 0.82 ALDH1A1 (0.46) ALDH1A1CYP19A1MAPTPPARGOXER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399516-B2 Alpha-substituted omega-3 lipids that are activators or modulators of the peroxisome proliferators-activated receptor (PPAR) PRONOVA BIOPHARMA NORGE AS (NO) 2013-03-19 US disclosed
US-20100035990-A1 ALPHA-SUBSTITUTED OMEGA-3 LIPIDS THAT ARE ACTIVATORS OR MODULATORS OF THE PEROXISOME PROLIFERATORS-ACTIVATED RECEPTOR (PPAR) PRONOVA BIOPHARMA NORGE AS (NO) 2010-02-11 US disclosed
WO-2008053340-A1 A COMBINATION PRODUCT COMPRISING AT LEAST ONE LIPID SUBSTITUTED IN THE ALPHA POSITION AND AT LEAST ONE HYPOGLYCEMIC AGENT PRONOVA BIOPHARMA NORGE AS (NO) 2008-05-08 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-20100035990-A1 ALPHA-SUBSTITUTED OMEGA-3 LIPIDS THAT ARE ACTIVATORS OR MODULATORS OF THE PEROXISOME PROLIFERATORS-ACTIVATED RECEPTOR (PPAR) PPARG, PPARA, FFAR3 ALDH1A1 1088/4885CYP19A1 922/4885MAPT 4860/4885

“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.