SCHEMBL4951744

SCHEMBL4951744

CCCCSCC(OC(C)=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
BLM P54132 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NOS2 P35228 3/20 0.36
CES1 P23141 1/20 0.36
ALDH1A1 P00352 1/20 0.34
PTGS2 P35354 2/20 0.33
PRKCA P17252 3/20 0.33
TSHR P16473 1/20 0.32
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
PLA2G4B P0C869 1/20 0.32
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32

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
SCHEMBL4953666 0.89 METAP2 (0.35) NOS2TSHRNOS1NOS3
SCHEMBL4951868 0.85 MAPT (0.37) CES2GMNNTP53POLBMAPT
SCHEMBL4956998 0.85 MAPT (0.37) CES2GMNNTP53POLBMAPT
SCHEMBL4954139 0.83 MAPT (0.36) CES2GMNNTP53POLBMAPT
SCHEMBL4954119 0.83 LMNA (0.39) GMNNTP53POLBMAPTTHRB
SCHEMBL4951686 0.82 MAPT (0.35) CES2GMNNTP53POLBMAPT
SCHEMBL4952141 0.82 GMNN (0.35) CES2GMNNTP53POLBMAPT
SCHEMBL4952696 0.82 TSHR (0.34) MAPTBLMHSD17B10ALDH1A1TSHR
SCHEMBL5331347 0.81 MAPT (0.34) CES2GMNNTP53POLBMAPT
SCHEMBL4954198 0.80 HCAR2 (0.45) GMNNTP53POLBMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465471-B2 Palatability of aquaculture feed NOVUS INTERNATIONAL, INC. (US) 2008-12-16 US disclosed
WO-2007147155-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-21 WO disclosed
US-20070292485-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-20 US disclosed
US-20050215623-A1 Palatability of aquaculture feed NOVUS INTERNATIONAL, INC. (US) 2005-09-29 US disclosed
EP-1531672-A2 ANTIMICROBIAL COMPOSITIONS Novus International, Inc. (US) 2005-05-25 EP disclosed
US-20040175434-A1 Antimicrobial compositions NOVUS INTERNATIONAL, INC. 2004-09-09 US disclosed
WO-2004019683-A2 ANTIMICROBIAL COMPOSITIONS NOVUS INTERNATIONAL, INC. (US) 2004-03-11 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-20070292485-A1 POLYOL ESTER COMPOUNDS PNLIP, ELOVL1, ELOVL5 CES2 15/4885GMNN 1654/4885TP53 2697/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 CES2 3216/4885GMNN 1681/4885TP53 3725/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 CES2 3521/4885GMNN 1152/4885TP53 4079/4885

“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.