SCHEMBL826142

SCHEMBL826142

C=CCCCCCCCCCOCCOCCOCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C19 P33261 1/20 0.47
LPAR3 Q9UBY5 2/20 0.46
LPAR2 Q9HBW0 1/20 0.46
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 6/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.37
ADORA1 P30542 1/20 0.36
PLA2G2C Q5R387 1/20 0.36
CES2 O00748 1/20 0.36
GPR35 Q9HC97 1/20 0.35
TSHR P16473 4/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL823884 1.00 ABCC4 (0.52) ABCC4MAPTCYP2C19LPAR3LPAR2
SCHEMBL14510786 1.00 ABCC4 (0.52) ABCC4MAPTCYP2C19LPAR3LPAR2
SCHEMBL17489146 0.96 MAPT (0.55) ABCC4MAPTCYP2C19LPAR3LPAR2
SCHEMBL18396525 0.96 MAPT (0.55) ABCC4MAPTCYP2C19LPAR3LPAR2
SCHEMBL7928962 0.94 MAPT (0.52) ABCC4MAPTCYP2C19LPAR3LPAR2
SCHEMBL29950940 0.88 ABCC4 (0.48) ABCC4MAPTCYP2C19LPAR3LPAR2
SCHEMBL12833291 0.84 ALDH1A1 (0.40) ABCC4MAPTCYP2C19LPAR3LPAR2
SCHEMBL23405393 0.84 CES2 (0.46) MAPTCYP2C19EPHX2ALDH1A1LMNA
SCHEMBL823880 0.84 LPAR3 (0.44) ABCC4MAPTCYP2C19LPAR3LPAR2
SCHEMBL21068781 0.83 MAPT (0.64) ABCC4MAPTCYP2C19LPAR3LPAR2

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 6 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
EP-1798250-B1 Molecules suitable for binding to a metal layer for covalently immobilizing biomolecules IMEC INTER UNI MICRO ELECTR (BE) 2008-09-03 EP 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
EP-1798250-A2 Molecules suitable for binding to a metal layer for covalently immobilizing biomolecules INTERUNIVERSITAIR MICROELEKTRONICA CENTRUM vzw (IMEC) (BE) 2007-06-20 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 (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 ABCC4 4218/4885MAPT 4448/4885CYP2C19 4390/4885
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 ABCC4 4535/4885MAPT 4752/4885CYP2C19 3568/4885

“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.