SCHEMBL823819

SCHEMBL823819

O=C(CCCl)COCCOCCCCCCCCCCCS

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.34
FOLH1 Q04609 1/20 0.32
PLA2G4B P0C869 3/20 0.32
GAA P10253 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 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
SCHEMBL5055843 0.86 CES2 (0.36) CES2FOLH1PLA2G4B
SCHEMBL823693 0.86 CES2 (0.36) CES2FOLH1PLA2G4B
SCHEMBL825647 0.86 CES2 (0.36) CES2FOLH1PLA2G4B
SCHEMBL15370149 0.80 FOLH1 (0.43) CES2FOLH1PLA2G4BGAAHDAC3
SCHEMBL12130360 0.80 FOLH1 (0.43) CES2FOLH1PLA2G4BGAAHDAC3
SCHEMBL1468538 0.80 FOLH1 (0.43) CES2FOLH1PLA2G4BGAAHDAC3
SCHEMBL823747 0.79 MAPT (0.41) CES2PLA2G4B
SCHEMBL826533 0.78 CES2 (0.38) CES2FOLH1GAAHDAC3HDAC1
SCHEMBL823708 0.78 CES2 (0.38) CES2FOLH1GAAHDAC3HDAC1
SCHEMBL823900 0.76 CES2 (0.37) CES2PLA2G4BHDAC3HDAC1HDAC2

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 CES2 2139/4885FOLH1 2574/4885PLA2G4B 3638/4885
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 CES2 920/4885FOLH1 2412/4885PLA2G4B 3563/4885

“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.