SCHEMBL4178822

SCHEMBL4178822

CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](CO)COP(=O)([O-])OCC[N+](C)(C)C

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.80
SMN1; SMN2 Q16637 1/20 0.67
NR5A2 O00482 1/20 0.67
NR5A1 Q13285 1/20 0.67
S1PR1 P21453 1/20 0.67
RECQL P46063 1/20 0.63
MAPT P10636 2/20 0.60
FAAH O00519 1/20 0.57
HPGD P15428 1/20 0.57
CNR1 P21554 1/20 0.57
CNR2 P34972 1/20 0.57
GPR55 Q9Y2T6 2/20 0.56
PRKCE Q02156 1/20 0.54
PRKCQ Q04759 1/20 0.54
PRKCD Q05655 1/20 0.54
PRKCA P17252 1/20 0.54
SELP P16109 1/20 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
SCHEMBL15689715 0.99 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2NR5A2NR5A1S1PR1
SCHEMBL3410263 0.99 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2NR5A2NR5A1S1PR1
SCHEMBL3409780 0.98 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2NR5A2NR5A1S1PR1
SCHEMBL3405833 0.96 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2NR5A2NR5A1S1PR1
SCHEMBL3403745 0.96 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2NR5A2NR5A1S1PR1
SCHEMBL3406019 0.96 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2NR5A2NR5A1S1PR1
SCHEMBL753300 0.96 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2NR5A2NR5A1S1PR1
SCHEMBL3410573 0.96 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2NR5A2NR5A1S1PR1
SCHEMBL5053766 0.96 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2NR5A2NR5A1S1PR1
SCHEMBL3406499 0.96 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2NR5A2NR5A1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036410-A1 Structured Phospholipids BTG INTERNATIONAL LIMITED (GB) 2009-02-05 US disclosed
EP-1885377-A2 STRUCTURED PHOSPHOLIPIDS FOR TREATING AUTOIMMUNE AND NEURODEGENERATIVE DISEASES BTG INTERNATIONAL LIMITED (GB) 2008-02-13 EP disclosed
WO-2006056783-A2 STRUCTURED PHOSPHOLIPIDS FOR TREATING AUTOIMMUNE AND NEURODEGENERATIVE DISEASES BTG INTERNATIONAL LIMITED (GB) 2006-06-01 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 (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-20090036410-A1 Structured Phospholipids SGMS1, SGMS2, SMPD1 ALDH1A1 2468/4885SMN1; SMN2 905/4885NR5A2 3152/4885

“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.