SCHEMBL823712

SCHEMBL823712

O=C(O)COCCOCCCCCCCCCCCSSCCCCCCCCCCCOCCOCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
CES2 O00748 2/20 0.38
EPHX2 P34913 1/20 0.36
TSHR P16473 2/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
BLM P54132 2/20 0.32
HSD17B10 Q99714 2/20 0.32
THRB P10828 2/20 0.32
MAPT P10636 2/20 0.32
FOLH1 Q04609 1/20 0.32
PMP22 Q01453 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PLA2G4B P0C869 2/20 0.32
GAA P10253 1/20 0.31
GMNN O75496 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL23405393 0.87 CES2 (0.46) CYP2C19CES2EPHX2TSHRCYP4F2
SCHEMBL22922164 0.85 CES2 (0.48) CYP2C19CES2EPHX2TSHRCYP4F2
SCHEMBL22922026 0.83 CES2 (0.41) CYP2C19CES2EPHX2TSHRCYP4F2
SCHEMBL6527835 0.83 TSHR (0.42) CYP2C19EPHX2TSHRBLMHSD17B10
SCHEMBL20534923 0.83 EPHX2 (0.42) CYP2C19CES2EPHX2TSHRCYP4F2
SCHEMBL20535086 0.83 CES2 (0.46) CYP2C19CES2EPHX2TSHRCYP4F2
SCHEMBL23405410 0.82 CES2 (0.44) CYP2C19CES2EPHX2TSHRCYP4F2
SCHEMBL22922080 0.82 CES2 (0.44) CYP2C19CES2EPHX2TSHRCYP4F2
SCHEMBL7713583 0.82 CES2 (0.50) CYP2C19CES2EPHX2TSHRCYP4F2
SCHEMBL18660231 0.82 CES2 (0.50) CYP2C19CES2EPHX2TSHRCYP4F2

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 CYP2C19 4390/4885CES2 2139/4885EPHX2 3420/4885
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 CYP2C19 3568/4885CES2 920/4885EPHX2 1411/4885

“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.