SCHEMBL823800

SCHEMBL823800

C=CCCC/C=C/CCCCOCCOCCO

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
LPAR3 Q9UBY5 2/20 0.39
LPAR2 Q9HBW0 1/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 1/20 0.36
SLC2A1 P11166 1/20 0.33
ADORA1 P30542 1/20 0.32

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
SCHEMBL1468539 0.90 MEN1 (0.54) MEN1KMT2ATHRBHTTMAPT
SCHEMBL826393 0.90 MEN1 (0.54) MEN1KMT2ATHRBHTTMAPT
SCHEMBL6150801 0.90 MEN1 (0.54) MEN1KMT2ATHRBHTTMAPT
SCHEMBL2530379 0.90 MEN1 (0.54) MEN1KMT2ATHRBHTTMAPT
SCHEMBL8897653 0.90 TSHR (0.48) MEN1KMT2ATHRBHTTMAPT
SCHEMBL16589825 0.88 MEN1 (0.50) MEN1KMT2ATHRBHTTMAPT
SCHEMBL8898852 0.88 MEN1 (0.50) MEN1KMT2ATHRBHTTMAPT
SCHEMBL823697 0.88 MEN1 (0.50) MEN1KMT2ATHRBHTTMAPT
SCHEMBL18396496 0.88 MEN1 (0.50) MEN1KMT2ATHRBHTTMAPT
SCHEMBL875224 0.87 MEN1 (0.41) MEN1KMT2ATHRBHTTMAPT

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 MEN1 4679/4885KMT2A 3264/4885THRB 1888/4885
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 MEN1 4859/4885KMT2A 3326/4885THRB 1883/4885

“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.