SCHEMBL823869

SCHEMBL823869

C=CCCCCCCCCCOCCOCC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
LPAR3 Q9UBY5 2/20 0.39
LPAR2 Q9HBW0 1/20 0.39
MAPT P10636 3/20 0.36
ABCC4 O15439 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA1 P30542 1/20 0.35
CES2 O00748 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
CYP3A4 P08684 3/20 0.33
USP2 O75604 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
TSHR P16473 2/20 0.32
HPGD P15428 1/20 0.32
TLR2 O60603 1/20 0.32
TLR1 Q15399 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
SCHEMBL1469488 1.00 ALDH1A1 (0.42) ALDH1A1LMNALPAR3LPAR2MAPT
SCHEMBL17940931 0.95 ALDH1A1 (0.42) ALDH1A1LMNALPAR3LPAR2MAPT
SCHEMBL23405409 0.87 CES2 (0.43) MAPTL3MBTL1CES2TDP1TLR2
SCHEMBL21068702 0.86 ALDH1A1 (0.47) ALDH1A1LMNALPAR3LPAR2MAPT
SCHEMBL22951264 0.85 CES2 (0.44) MAPTL3MBTL1CES2TDP1TLR2
SCHEMBL20535026 0.84 CES2 (0.39) MAPTL3MBTL1CES2TDP1TLR2
SCHEMBL20535562 0.84 CES2 (0.43) MAPTL3MBTL1CES2TDP1TLR2
SCHEMBL23405395 0.83 CES2 (0.41) MAPTL3MBTL1CES2TDP1TLR2
SCHEMBL13799317 0.83 ALDH1A1 (0.45) ALDH1A1L3MBTL1
SCHEMBL28485758 0.83 CES2 (0.38) MAPTL3MBTL1CES2TDP1CYP2C19

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 ALDH1A1 3655/4885LMNA 2675/4885LPAR3 4806/4885
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 ALDH1A1 1605/4885LMNA 4184/4885LPAR3 4114/4885

“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.