SCHEMBL2744637

SCHEMBL2744637

CCC=CCC=CCC=CCC=CCC=CCCCC=C(C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
CYP19A1 P11511 4/20 0.58
PTGS1 P23219 4/20 0.58
F7 P08709 3/20 0.58
F3 P13726 3/20 0.58
PPARG P37231 3/20 0.58
OXER1 Q8TDS5 3/20 0.58
PPARA Q07869 3/20 0.58
KMT2A Q03164 2/20 0.58
PPARD Q03181 2/20 0.58
RXRA P19793 2/20 0.58
ADORA3 P0DMS8 2/20 0.58
MAPT P10636 4/20 0.54
FFAR1 O14842 2/20 0.54
NR1I2 O75469 2/20 0.54
PTGS2 P35354 2/20 0.54
CYP3A4 P08684 2/20 0.54
ALOX15 P16050 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TDP1 Q9NUW8 2/20 0.54

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
SCHEMBL2744936 1.00 ALDH1A1 (0.58) ALDH1A1CYP19A1PTGS1F7F3
SCHEMBL2744634 1.00 ALDH1A1 (0.58) ALDH1A1CYP19A1PTGS1F7F3
SCHEMBL2744568 0.95 ALDH1A1 (0.62) ALDH1A1CYP19A1PTGS1F7F3
SCHEMBL3950087 0.95 ALDH1A1 (0.62) ALDH1A1CYP19A1PTGS1F7F3
SCHEMBL2744195 0.95 ALDH1A1 (0.62) ALDH1A1CYP19A1PTGS1F7F3
SCHEMBL2744198 0.95 ALDH1A1 (0.62) ALDH1A1CYP19A1PTGS1F7F3
Acetic Acid SCHEMBL29996117 0.85 ALDH1A1 (0.70) ALDH1A1CYP19A1PTGS1F7F3
Acetic Acid SCHEMBL28863188 0.85 ALDH1A1 (0.70) ALDH1A1CYP19A1PTGS1F7F3
SCHEMBL1404387 0.84 ALDH1A1 (0.62) ALDH1A1CYP19A1PTGS1F7F3
SCHEMBL12630610 0.84 ALDH1A1 (0.62) ALDH1A1CYP19A1PTGS1F7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178708-B2 Lipid derivatives PRONOVA BIOPHARMA NORGE AS (NO) 2012-05-15 US claimed
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 (2 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 ALDH1A1 1254/4885CYP19A1 588/4885PTGS1 2326/4885
US-20090105499-A1 LIPID DERIVATIVES PLIN3, STARD3, CYP4F3 ALDH1A1 1511/4885CYP19A1 727/4885PTGS1 2318/4885

“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.