SCHEMBL823808

SCHEMBL823808

O=C(O)OCCOCCCCCCCCCCCSSCCCCCCCCCCCOCCOC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.31
CES2 O00748 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
SCHEMBL25987468 0.87 TSHR (0.38) TSHRALDH1A1
SCHEMBL823712 0.80 CYP2C19 (0.39) TSHRALDH1A1TP53HSD17B10MEN1
SCHEMBL5932437 0.78 MEN1 (0.57) TSHRMEN1THRBHTTKMT2A
SCHEMBL9361430 0.78 MEN1 (0.57) TSHRMEN1THRBHTTKMT2A
SCHEMBL7653445 0.78 MEN1 (0.57) TSHRMEN1THRBHTTKMT2A
SCHEMBL5932976 0.78 MEN1 (0.57) TSHRMEN1THRBHTTKMT2A
SCHEMBL7633832 0.78 MEN1 (0.57) TSHRMEN1THRBHTTKMT2A
SCHEMBL1315512 0.78 ALDH1A1 (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL22129561 0.78 ALDH1A1 (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL29842694 0.78 ALDH1A1 (0.48) TSHRALDH1A1TP53HIF1AHSD17B10

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 TSHR 1902/4885ALDH1A1 3655/4885TP53 2300/4885
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 TSHR 1653/4885ALDH1A1 1605/4885TP53 3115/4885

“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.