SCHEMBL826523

SCHEMBL826523

O=C(O)c1cc(F)c(F)c(CCOCCOCCOCCCCCCCCCCCS)c1F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.37
RARA P10276 3/20 0.37
RARG P13631 2/20 0.32
FOLH1 Q04609 2/20 0.32
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
PTK2B Q14289 1/20 0.30

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
SCHEMBL825719 0.90 RARB (0.37) RARBRARARARGFOLH1ALDH1A1
SCHEMBL826154 0.85 RARB (0.39) RARBRARARARGFOLH1ALDH1A1
SCHEMBL826000 0.81 FOLH1 (0.35) RARBRARARARGFOLH1ALDH1A1
SCHEMBL5050501 0.77 SERPINE1 (0.39) RARBRARAALDH1A1
SCHEMBL825687 0.76
SCHEMBL825701 0.75 DCLRE1B (0.42) RARBRARARARGFOLH1ALDH1A1
SCHEMBL5053900 0.73 SERPINE1 (0.40) RARBRARAALDH1A1
SCHEMBL5049251 0.73 SERPINE1 (0.50)
SCHEMBL5050530 0.69 CES2 (0.41) RARBRARAALDH1A1
SCHEMBL5053888 0.68 RAB9A (0.44) RARBRARAALDH1A1KMT2A

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 RARB 2461/4885RARA 2967/4885RARG 2684/4885
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 RARB 1393/4885RARA 1736/4885RARG 2372/4885

“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.