SCHEMBL2744358

SCHEMBL2744358

CCC=CCC=CCC=CCC=CCCC=CC=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.59
PPARA Q07869 3/20 0.57
ALDH1A1 P00352 7/20 0.48
CYP19A1 P11511 4/20 0.48
PPARG P37231 3/20 0.48
OXER1 Q8TDS5 3/20 0.48
MAPT P10636 3/20 0.48
RXRA P19793 2/20 0.48
FFAR1 O14842 2/20 0.48
PTGS1 P23219 3/20 0.45
F7 P08709 3/20 0.45
F3 P13726 3/20 0.45
KMT2A Q03164 2/20 0.45
PPARD Q03181 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
CNR1 P21554 2/20 0.44
CNR2 P34972 1/20 0.44
NR1I2 O75469 2/20 0.42
PTGS2 P35354 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL2744091 1.00 TRPA1 (0.59) TRPA1PPARAALDH1A1CYP19A1PPARG
SCHEMBL4664269 1.00 TRPA1 (0.59) TRPA1PPARAALDH1A1CYP19A1PPARG
SCHEMBL8579054 0.93 TRPA1 (0.68) TRPA1PPARAALDH1A1CYP19A1PPARG
SCHEMBL309546 0.93 TRPA1 (0.68) TRPA1PPARAALDH1A1CYP19A1PPARG
SCHEMBL28393973 0.93 TRPA1 (0.68) TRPA1PPARAALDH1A1CYP19A1PPARG
SCHEMBL3110731 0.93 TRPA1 (0.68) TRPA1PPARAALDH1A1CYP19A1PPARG
SCHEMBL8816152 0.93 TRPA1 (0.68) TRPA1PPARAALDH1A1CYP19A1PPARG
SCHEMBL18954266 0.93 TRPA1 (0.68) TRPA1PPARAALDH1A1CYP19A1PPARG
SCHEMBL1116445 0.93 TRPA1 (0.68) TRPA1PPARAALDH1A1CYP19A1PPARG
SCHEMBL309545 0.93 TRPA1 (0.68) TRPA1PPARAALDH1A1CYP19A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016116634-A1 PROCESS FOR THE PREPARATION OF A POLYUNSATURATED KETONE COMPOUND AVEXXIN AS (NO) 2016-07-28 WO disclosed
US-20160159737-A1 PROCESS FOR THE PREPARATION OF A POLYUNSATURATED KETONE COMPOUND AVEXXIN AS (NO) 2016-06-09 US disclosed
US-20160159737-A1 PROCESS FOR THE PREPARATION OF A POLYUNSATURATED KETONE COMPOUND AVEXXIN AS (NO) 2016-06-09 US disclosed
WO-2015011206-A1 PROCESS FOR THE PREPARATION OF A POLYUNSATURATED KETONE COMPOUND AVEXXIN AS (NO) 2015-01-29 WO disclosed
US-20120232143-A1 LIPID DERIVATIVES PRONOVA BIOPHARMA NORGE AS 2012-09-13 US disclosed
US-8178708-B2 Lipid derivatives PRONOVA BIOPHARMA NORGE AS (NO) 2012-05-15 US disclosed
US-20090105499-A1 LIPID DERIVATIVES PRONOVA BIOPHARMA NORGE AS (NO) 2009-04-23 US disclosed
EP-2007702-A2 CONJUGATED LIPID DERIVATIVES Pronova BioPharma Norge AS (NO) 2008-12-31 EP disclosed
WO-2007107869-A2 LIPID DERIVATIVES PRONOVA BIOPHARMA NORGE AS (NO) 2007-09-27 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 (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-20120232143-A1 LIPID DERIVATIVES CYP4F3, STARD3, PLIN3 TRPA1 3872/4885PPARA 802/4885ALDH1A1 1254/4885
US-20090105499-A1 LIPID DERIVATIVES PLIN3, STARD3, CYP4F3 TRPA1 3908/4885PPARA 885/4885ALDH1A1 1511/4885
US-20160159737-A1 PROCESS FOR THE PREPARATION OF A POLYUNSATURATED KETONE COMPOUND ALOX15, FADS1, FASN TRPA1 3548/4885PPARA 72/4885ALDH1A1 750/4885

“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.