SCHEMBL5019725

SCHEMBL5019725

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
F7 P08709 3/20 0.47
F3 P13726 3/20 0.47
CYP19A1 P11511 3/20 0.47
MAPT P10636 2/20 0.47
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
OXER1 Q8TDS5 2/20 0.47
PTGS1 P23219 2/20 0.47
PPARG P37231 2/20 0.47
KMT2A Q03164 2/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47
NR1I2 O75469 2/20 0.47
PTGS2 P35354 2/20 0.47
KDM4E B2RXH2 1/20 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
SCHEMBL17928373 1.00 ALDH1A1 (0.48) ALDH1A1CNR1CNR2F7F3
SCHEMBL5019728 0.98 ALDH1A1 (0.50) ALDH1A1CNR1CNR2F7F3
SCHEMBL5019726 0.95 ADORA3 (0.50) ALDH1A1CNR1CNR2F7F3
SCHEMBL5019729 0.89 ALDH1A1 (0.44) ALDH1A1CNR1F7F3CYP19A1
SCHEMBL5019730 0.89 ALDH1A1 (0.44) ALDH1A1CNR1F7F3CYP19A1
Icosabutate SCHEMBL298718 0.88 ALDH1A1 (0.51) ALDH1A1CNR1CNR2F7F3
Icosabutate SCHEMBL15996134 0.88 ALDH1A1 (0.51) ALDH1A1CNR1CNR2F7F3
Icosabutate SCHEMBL3678946 0.88 ALDH1A1 (0.51) ALDH1A1CNR1CNR2F7F3
Icosabutate SCHEMBL298719 0.88 ALDH1A1 (0.51) ALDH1A1CNR1CNR2F7F3
Icosabutate SCHEMBL21585131 0.88 ALDH1A1 (0.51) ALDH1A1CNR1CNR2F7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180110747-A1 USE OF THIA OXO COMPOUNDS FOR LOWERING APO C3 BASF AS (NO) 2018-04-26 US disclosed
US-9394228-B2 Methods of treatment using lipid compounds PRONOVA BIOPHARMA NORGE AS (NO) 2016-07-19 US disclosed
US-9365482-B2 Methods of preparing fatty acid derivatives PRONOVA BIOPHARMA NORGE AS (NO) 2016-06-14 US disclosed
US-20160009625-A1 METHODS OF PREPARING FATTY ACID DERIVATIVES PRONOVA BIOPHARMA NORGE AS (NO) 2016-01-14 US disclosed
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 (3 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 695/4885CNR1 119/4885CNR2 35/4885
US-20180110747-A1 USE OF THIA OXO COMPOUNDS FOR LOWERING APO C3 APOB, TTPA, APOL1 ALDH1A1 2466/4885CNR1 1419/4885CNR2 2149/4885
US-20160009625-A1 METHODS OF PREPARING FATTY ACID DERIVATIVES FASN, SCD, ELOVL3 ALDH1A1 767/4885CNR1 3394/4885CNR2 2186/4885

“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.