SCHEMBL823872

SCHEMBL823872

C=CCOCCOCCOCCCC/C=C/CCCCCSC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C19 P33261 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
P2RY10 O00398 1/20 0.32
EPHX2 P34913 1/20 0.32
LPAR2 Q9HBW0 4/20 0.31
LPAR3 Q9UBY5 4/20 0.31
LPAR1 Q92633 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL823735 0.93 L3MBTL1 (0.34) CYP3A4MAPTCYP2C19PLA2G2CL3MBTL1
SCHEMBL823799 0.84 MEN1 (0.43) MAPTCYP2C19P2RY10EPHX2LPAR2
SCHEMBL9122656 0.83 POLB (0.36) CYP2C19PLA2G2CL3MBTL1
SCHEMBL19028022 0.79 ALDH1A1 (0.49) LMNACYP3A4ALDH1A1
SCHEMBL30917919 0.78 CES2 (0.42) MAPTCYP2C19PLA2G2C
SCHEMBL823882 0.76 TSHR (0.43) LMNAEPHX2ALDH1A1
SCHEMBL16239066 0.75 MAPT (0.47) LMNAUSP2CYP3A4MAPTRECQL
SCHEMBL3282897 0.75 MAPT (0.47) LMNAUSP2CYP3A4MAPTRECQL
SCHEMBL16239693 0.75 MAPT (0.47) LMNAUSP2CYP3A4MAPTRECQL
SCHEMBL15674708 0.75 MAPT (0.47) LMNAUSP2CYP3A4MAPTRECQL

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 LMNA 2675/4885USP2 1211/4885CYP3A4 3560/4885
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 LMNA 4184/4885USP2 91/4885CYP3A4 3239/4885

“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.