SCHEMBL823903

SCHEMBL823903

CC(=O)SCCCCCC(=O)CCCCC(=O)OCCOCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
DGKA P23743 1/20 0.42
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
DNM1 Q05193 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
MGLL Q99685 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL20466247 0.94 EPHX2 (0.46) EPHX2DGKAHDAC3HDAC4HDAC1
SCHEMBL20466232 0.87 DGKA (0.47) EPHX2DGKAHDAC3HDAC4HDAC1
SCHEMBL823882 0.84 TSHR (0.43) EPHX2DGKAHDAC3HDAC4HDAC1
SCHEMBL1469721 0.80 MEN1 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11108133 0.80 DGKA (0.57) EPHX2DGKADNM1MEN1KMT2A
SCHEMBL1532510 0.80 DGKA (0.57) EPHX2DGKADNM1MEN1KMT2A
SCHEMBL15210207 0.80 DGKA (0.57) EPHX2DGKADNM1MEN1KMT2A
SCHEMBL9003333 0.80 DGKA (0.57) EPHX2DGKADNM1MEN1KMT2A
SCHEMBL17144177 0.80 DGKA (0.57) EPHX2DGKADNM1MEN1KMT2A
SCHEMBL20466243 0.79 EPHX2 (0.42) EPHX2HDAC3HDAC4HDAC1HDAC7

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 EPHX2 3420/4885DGKA 2652/4885HDAC3 4488/4885
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 EPHX2 1411/4885DGKA 1998/4885HDAC3 4230/4885

“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.