SCHEMBL823747

SCHEMBL823747

C=CCCCCCCCCCOCCOCC(=O)CCCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ABCC4 O15439 1/20 0.41
ALDH1A1 P00352 6/20 0.40
LPAR3 Q9UBY5 2/20 0.40
LMNA P02545 2/20 0.40
LPAR2 Q9HBW0 1/20 0.40
CYP3A4 P08684 4/20 0.33
USP2 O75604 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP2C19 P33261 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
CES2 O00748 1/20 0.32
EPHX2 P34913 1/20 0.31
TSHR P16473 3/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 1/20 0.31
PLA2G4B P0C869 2/20 0.30

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
SCHEMBL823865 0.87 LPAR3 (0.42) MAPTABCC4ALDH1A1LPAR3LMNA
SCHEMBL25231339 0.85 MAPT (0.47) MAPTABCC4ALDH1A1LPAR3LMNA
SCHEMBL25284929 0.85 MAPT (0.47) MAPTABCC4ALDH1A1LPAR3LMNA
SCHEMBL826142 0.82 ABCC4 (0.52) MAPTABCC4ALDH1A1LPAR3LMNA
SCHEMBL823884 0.82 ABCC4 (0.52) MAPTABCC4ALDH1A1LPAR3LMNA
SCHEMBL14510786 0.82 ABCC4 (0.52) MAPTABCC4ALDH1A1LPAR3LMNA
SCHEMBL823880 0.80 LPAR3 (0.44) MAPTABCC4ALDH1A1LPAR3LMNA
SCHEMBL823819 0.79 CES2 (0.34) CES2PLA2G4B
SCHEMBL18396525 0.78 MAPT (0.55) MAPTABCC4ALDH1A1LPAR3LMNA
SCHEMBL17489146 0.78 MAPT (0.55) MAPTABCC4ALDH1A1LPAR3LMNA

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-8142720-B2 Molecules suitable for binding to a metal layer for covalently immobilizing biomolecules IMEC (BE) 2012-03-27 US disclosed
US-20100284860-A1 MOLECULES SUITABLE FOR BINDING TO A METAL LAYER FOR COVALENTLY IMMOBILIZING BIOMOLECULES IMEC (BE) 2010-11-11 US disclosed
US-7770437-B2 Thiol or disulfide molecules having poly(ethylene oxide) groups for use in a self assembled monolayer bound to a metal layer for covalently immobilizing biomolecules in a biosensor IMEC (BE) 2010-08-10 US disclosed
US-20070272003-A1 2-(2-{2-[2-(2-{2-[2-(11-mercaptoyldisulfanyl-undecyloxy)ethoxy]ethoxy}ethoxy)ethoxy]ethoxy} acetic acid pentafluorophenyl ester; poly(ethylene oxide) groups resist nonspecific adsorption and enhance the specific affinity interactions IMEC (BE) 2007-11-29 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 (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-20100284860-A1 MOLECULES SUITABLE FOR BINDING TO A METAL LAYER FOR COVALENTLY IMMOBILIZING BIOMOLECULES EBPL, SPR, MB MAPT 4448/4885ABCC4 4218/4885ALDH1A1 3655/4885
US-20070272003-A1 2-(2-{2-[2-(2-{2-[2-(11-mercaptoyldisulfanyl-undecyloxy)ethoxy]ethoxy}ethoxy)ethoxy]ethoxy} acetic acid pentafluorophenyl ester; poly(ethylene oxide) groups resist nonspecific adsorption and enhance the specific affinity interactions EBPL, AEBP2, NAPA MAPT 4752/4885ABCC4 4535/4885ALDH1A1 1605/4885

“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.