SCHEMBL52761

SCHEMBL52761

CCOC(=O)CCCCCCCCC1CO1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
ALOX15 P16050 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
USP2 O75604 1/20 0.54
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DGKA P23743 1/20 0.43
EPHX2 P34913 1/20 0.43
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TLR2 O60603 1/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL89183 1.00 ALDH1A1 (0.54) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL13412441 1.00 ALDH1A1 (0.54) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL11312759 0.93 CYP1A2 (0.50) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL7875391 0.88 ALDH1A1 (0.51) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL10915882 0.88 ALDH1A1 (0.51) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL8488475 0.87 ALDH1A1 (0.45) ALDH1A1ALOX15TDP1USP2DGKA
SCHEMBL10472514 0.86 ALDH1A1 (0.49) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL11323271 0.85 ALDH1A1 (0.44) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL3648153 0.84 MGLL (0.55) MGLL
SCHEMBL11779501 0.84 DGKA (0.44) ALDH1A1DGKAEPHX2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129552-B2 for transporting drugs or as gene transport vehicles, as solubilizers for drugs of low solubility in water, and themselves as active ingredients against diseases such as cancer or leishmaniosis; (Z)-6-octadecenyl-1-phospho-N,N,N-trimethylpropylammonium MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-03-06 US disclosed
US-8129552-B2 for transporting drugs or as gene transport vehicles, as solubilizers for drugs of low solubility in water, and themselves as active ingredients against diseases such as cancer or leishmaniosis; (Z)-6-octadecenyl-1-phospho-N,N,N-trimethylpropylammonium MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-03-06 US disclosed
US-20080214849-A1 PHOSPHOLIPIDS WITH UNSATURATED ALKYL AND ACYL CHAINS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSHAFTEN E.V. (DE) 2008-09-04 US disclosed
US-20080214849-A1 PHOSPHOLIPIDS WITH UNSATURATED ALKYL AND ACYL CHAINS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSHAFTEN E.V. (DE) 2008-09-04 US disclosed
EP-1102775-B1 NOVEL PHOSPHOLIPIDS WITH UNSATURATED ALKYL AND ACYL CHAINS MAX PLANCK GESELLSCHAFT (DE) 2005-06-08 EP disclosed
EP-1102775-A1 NOVEL PHOSPHOLIPIDS WITH UNSATURATED ALKYL AND ACYL CHAINS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2001-05-30 EP disclosed
WO-2000008031-A1 NOVEL PHOSPHOLIPIDS WITH UNSATURATED ALKYL AND ACYL CHAINS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2000-02-17 WO disclosed
EP-0194144-B1 PROCESS FOR THE PREPARATION OF 2-ALKYL-CYCLOPENT-2-ENONES Montedison S.p.A. (IT) 1991-09-11 EP disclosed
US-4673759-A Process for the preparation of 2-alkyl cyclopent-2-enones MONTEDISON S.P.A. (IT) 1987-06-16 US disclosed
EP-0194144-A2 Process for the preparation of 2-Alkyl-Cyclopent-2-Enones Montedison S.p.A. (IT) 1986-09-10 EP 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-20080214849-A1 PHOSPHOLIPIDS WITH UNSATURATED ALKYL AND ACYL CHAINS PHOSPHO1, PLTP, SGMS1 ALDH1A1 4394/4885ALOX15 110/4885TDP1 2874/4885

“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.