SCHEMBL5019729

SCHEMBL5019729

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
CYP19A1 P11511 4/20 0.44
MAPT P10636 4/20 0.44
PPARG P37231 3/20 0.44
OXER1 Q8TDS5 3/20 0.44
RXRA P19793 2/20 0.44
FFAR1 O14842 2/20 0.44
PTGS1 P23219 4/20 0.42
F7 P08709 3/20 0.42
F3 P13726 3/20 0.42
PPARA Q07869 3/20 0.42
ADORA3 P0DMS8 2/20 0.42
KMT2A Q03164 2/20 0.42
PPARD Q03181 2/20 0.42
NR1I2 O75469 2/20 0.41
PTGS2 P35354 2/20 0.41
PGR P06401 1/20 0.41
PDE4D Q08499 1/20 0.41
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 2/20 0.40

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
SCHEMBL5019730 1.00 ALDH1A1 (0.44) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL5019726 0.90 ADORA3 (0.50) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL17928373 0.89 ALDH1A1 (0.48) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL5019725 0.89 ALDH1A1 (0.48) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL5019728 0.88 ALDH1A1 (0.50) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL289343 0.87 ALDH1A1 (0.49) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL29255896 0.87 ALDH1A1 (0.49) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL290873 0.87 ALDH1A1 (0.49) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL290874 0.87 ALDH1A1 (0.49) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL289344 0.87 ALDH1A1 (0.49) 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 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 ALDH1A1 695/4885CYP19A1 1476/4885MAPT 4175/4885

“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.