SCHEMBL4813855

SCHEMBL4813855

CCCCCCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCCCCCC)OC(=O)CSCCCCCCCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.49
MAPT P10636 2/20 0.49
GMNN O75496 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
THRB P10828 1/20 0.49
CYP2C9 P11712 1/20 0.49
BLM P54132 1/20 0.49
HSD17B10 Q99714 1/20 0.49
FAAH O00519 4/20 0.47
CES1 P23141 4/20 0.47
PLA2G6 O60733 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
USP2 O75604 1/20 0.42
LPAR1 Q92633 2/20 0.42
LPAR3 Q9UBY5 2/20 0.42
PLA2G2C Q5R387 1/20 0.42
HTT P42858 1/20 0.41
MAPK1 P28482 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
SCHEMBL4812483 0.89 ALDH1A1 (0.52) MAPTFAAHALDH1A1LPAR1LPAR3
SCHEMBL6026492 0.86 ALDH1A1 (0.59) CES2MAPTGMNNTP53POLB
Tritetradecylthioacetyl Glycerol SCHEMBL4815254 0.86 ALDH1A1 (0.59) CES2MAPTGMNNTP53POLB
SCHEMBL14178795 0.86 ALDH1A1 (0.59) CES2MAPTGMNNTP53POLB
SCHEMBL4813894 0.85 PRKCA (0.61) BLMALDH1A1LMNALPAR1LPAR3
SCHEMBL5936361 0.84 ALDH1A1 (0.53) CES2MAPTGMNNTP53POLB
SCHEMBL14207834 0.84 ALDH1A1 (0.53) CES2MAPTGMNNTP53POLB
SCHEMBL4813829 0.83 MAPT (0.62) CES2MAPTGMNNTP53POLB
SCHEMBL4814107 0.82 ALDH1A1 (0.72) MAPTALDH1A1LMNALPAR1LPAR3
SCHEMBL4813459 0.82 ALDH1A1 (0.72) MAPTALDH1A1LMNALPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060154984-A1 Therapeutic use of acyl glycerols and the nitrogen- and sulphur- containing analogues thereof GENFIT (FR) 2006-07-13 US claimed
US-7375135-B2 Fatty acid derivatives; preparation and uses thereof GENFIT (FR) 2008-05-20 US disclosed
US-20060252827-A1 Therapeutic use of of acyglycerols and the nitrogen-and sulphur-containing analogues thereof GENFIT (FR) 2006-11-09 US disclosed
US-20040192908-A1 Fatty acid compounds, preparation and uses thereof GENFIT (FR) 2004-09-30 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-20060252827-A1 Therapeutic use of of acyglycerols and the nitrogen-and sulphur-containing analogues thereof SGMS2, SGMS1, AGK CES2 1719/4885MAPT 2944/4885GMNN 206/4885
US-20040192908-A1 Fatty acid compounds, preparation and uses thereof FASN, FFAR1, PLIN5 CES2 1287/4885MAPT 3243/4885GMNN 4750/4885
US-20060154984-A1 Therapeutic use of acyl glycerols and the nitrogen- and sulphur- containing analogues thereof AGPAT5, HAGH, AGPAT2 CES2 1234/4885MAPT 725/4885GMNN 574/4885

“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.