SCHEMBL826549

SCHEMBL826549

O=C(OCCOCCOCCOCCCCCCCCCCCS)c1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.44
HDAC6 Q9UBN7 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
ABCB11 O95342 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2B P18089 1/20 0.39
OPRD1 P41143 1/20 0.39
SCN5A Q14524 1/20 0.39
PLA2G7 Q13093 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
ESR1 P03372 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL5049251 0.86 SERPINE1 (0.50) SERPINE1CES2CES1ABCB11CYP3A4
SCHEMBL5050628 0.85 ABCB11 (0.44) SERPINE1ABCB11CYP3A4ADRA2BOPRD1
SCHEMBL5053900 0.81 SERPINE1 (0.40) SERPINE1CYP3A4ESR1AKR1C4AKR1C3
SCHEMBL5050530 0.80 CES2 (0.41) SERPINE1CES2CES1CYP3A4TDP1
SCHEMBL5053888 0.77 RAB9A (0.44) SERPINE1CES2CES1TDP1NPC1
SCHEMBL13291861 0.77 TDP1 (0.47) SERPINE1HDAC6CES2CES1CYP3A4
SCHEMBL5050501 0.77 SERPINE1 (0.39) SERPINE1CYP3A4ESR1AKR1C4AKR1C3
SCHEMBL29024896 0.75 GAA (0.61) HDAC6SCN5ATDP1MAPTRAB9A
SCHEMBL23581372 0.74 CES2 (0.47) SERPINE1HDAC6CES2CES1CYP3A4
SCHEMBL3625514 0.74 ESR1 (0.44) SERPINE1ABCB11CYP3A4ADRA2BOPRD1

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 6 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
EP-1798250-B1 Molecules suitable for binding to a metal layer for covalently immobilizing biomolecules IMEC INTER UNI MICRO ELECTR (BE) 2008-09-03 EP 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
EP-1798250-A2 Molecules suitable for binding to a metal layer for covalently immobilizing biomolecules INTERUNIVERSITAIR MICROELEKTRONICA CENTRUM vzw (IMEC) (BE) 2007-06-20 EP 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 SERPINE1 1753/4885HDAC6 4670/4885CES2 2139/4885
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 SERPINE1 4409/4885HDAC6 4537/4885CES2 920/4885

“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.