Sugi Predict

Sugi Predict / Compounds / SCHEMBL823799

SCHEMBL823799

SCHEMBL823799

CC(=O)SCCCCC/C=C/CCCCOCCOCCO

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ EPHX2 P34913 2/20 0.41
▸ CNR2 P34972 2/20 0.38
▸ TRPV1 Q8NER1 2/20 0.38
▸ MGLL Q99685 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ LPAR2 Q9HBW0 3/20 0.33
▸ LPAR3 Q9UBY5 3/20 0.33
▸ LPAR1 Q92633 2/20 0.33
▸ P2RY10 O00398 1/20 0.33
▸ CNR1 P21554 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
SCHEMBL30372269 0.91 MEN1 (0.52) MEN1THRBHTTKMT2AMAPT
SCHEMBL1469721 0.91 MEN1 (0.52) MEN1THRBHTTKMT2AMAPT
SCHEMBL29518865 0.91 MEN1 (0.52) MEN1THRBHTTKMT2AMAPT
SCHEMBL14266910 0.89 MEN1 (0.48) MEN1THRBHTTKMT2AMAPT
SCHEMBL823738 0.89 MEN1 (0.48) MEN1THRBHTTKMT2AMAPT
SCHEMBL823872 0.84 LMNA (0.33) MAPTEPHX2CYP2C19LPAR2LPAR3
SCHEMBL19028022 0.82 ALDH1A1 (0.49) TSHR
SCHEMBL30917919 0.82 CES2 (0.42) MEN1THRBHTTKMT2AMAPT
SCHEMBL29518923 0.77 ALDH1A1 (0.38) MEN1THRBHTTKMT2AMAPT
SCHEMBL1471178 0.77 ALDH1A1 (0.38) MEN1THRBHTTKMT2AMAPT

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 MEN1 4679/4885THRB 1888/4885HTT 4857/4885
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 MEN1 4859/4885THRB 1883/4885HTT 4798/4885

“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.