SCHEMBL5019726

SCHEMBL5019726

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.50
NR1I2 O75469 2/20 0.50
PTGS2 P35354 2/20 0.50
PGR P06401 1/20 0.50
PDE4D Q08499 1/20 0.50
ALDH1A1 P00352 8/20 0.48
CYP3A4 P08684 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 1/20 0.48
CYP19A1 P11511 4/20 0.47
F7 P08709 3/20 0.47
F3 P13726 3/20 0.47
PPARG P37231 3/20 0.47
OXER1 Q8TDS5 3/20 0.47
PTGS1 P23219 2/20 0.47
KMT2A Q03164 2/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47

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
SCHEMBL5019725 0.95 ALDH1A1 (0.48) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL17928373 0.95 ALDH1A1 (0.48) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL5019728 0.94 ALDH1A1 (0.50) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL5019729 0.90 ALDH1A1 (0.44) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL5019730 0.90 ALDH1A1 (0.44) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL21052394 0.88 ALDH1A1 (0.51) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL289845 0.88 ALDH1A1 (0.51) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL289846 0.88 ALDH1A1 (0.51) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL3688336 0.84 ALDH1A1 (0.55) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL3688338 0.84 ALDH1A1 (0.55) ADORA3NR1I2PTGS2PGRPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122940-A1 POLYUNSATURATED FATTY ACIDS FOR THE TREATMENT OF DISEASES RELATED TO CARDIOVASCULAR, METABOLIC AND INFLAMMATORY DISEASE AREAS PRONOVA BIOPHARMA NORGE AS (NO) 2012-05-17 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-20120122940-A1 POLYUNSATURATED FATTY ACIDS FOR THE TREATMENT OF DISEASES RELATED TO CARDIOVASCULAR, METABOLIC AND INFLAMMATORY DISEASE AREAS FFAR2, FFAR3, FFAR1 ADORA3 788/4885NR1I2 279/4885PTGS2 185/4885

“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.