SCHEMBL825701

SCHEMBL825701

O=C(O)c1ccc(F)cc1CCOCCOCCOCCCCCCCCCCCS

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCLRE1B Q9H816 2/20 0.42
RARB P10826 4/20 0.40
RARA P10276 3/20 0.40
FOLH1 Q04609 4/20 0.38
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
PTK2B Q14289 1/20 0.36
KEAP1 Q14145 1/20 0.36
RARG P13631 2/20 0.35
DCLRE1A Q6PJP8 1/20 0.35
LTB4R Q15722 2/20 0.33
LTB4R2 Q9NPC1 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 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
SCHEMBL826000 0.82 FOLH1 (0.35) DCLRE1BRARBRARAFOLH1ALDH1A1
SCHEMBL5053888 0.79 RAB9A (0.44) RARBRARAALDH1A1KMT2A
SCHEMBL826154 0.78 RARB (0.39) DCLRE1BRARBRARAFOLH1ALDH1A1
SCHEMBL825719 0.75 RARB (0.37) RARBRARAFOLH1ALDH1A1KMT2A
SCHEMBL826523 0.75 RARB (0.37) RARBRARAFOLH1ALDH1A1KMT2A
SCHEMBL5050628 0.72 ABCB11 (0.44) ALDH1A1KMT2A
SCHEMBL26866 0.72 KEAP1 (0.47) DCLRE1BFOLH1ALDH1A1KMT2AKEAP1
SCHEMBL3285024 0.72 RARB (0.56) RARBRARAKMT2ARARGPPARG
SCHEMBL26679402 0.71 F13A1 (0.43) DCLRE1BKMT2AKEAP1HDAC3HDAC4
Hydrochloric Acid SCHEMBL29118312 0.70 KEAP1 (0.46) DCLRE1BFOLH1ALDH1A1KMT2AKEAP1

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 DCLRE1B 185/4885RARB 2461/4885RARA 2967/4885
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 DCLRE1B 224/4885RARB 1393/4885RARA 1736/4885

“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.