SCHEMBL823835

SCHEMBL823835

C=CCCCCCCCCCOCCOCC1CO1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.50
LPAR3 Q9UBY5 2/20 0.40
LPAR2 Q9HBW0 1/20 0.40
MAPK1 P28482 1/20 0.35
SLC2A1 P11166 1/20 0.34
ADORA1 P30542 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
SCHEMBL3619125 0.96 TSHR (0.67) TSHRALDH1A1TDP1SMN1; SMN2LPAR3
SCHEMBL21678801 0.96 TSHR (0.67) TSHRALDH1A1TDP1SMN1; SMN2LPAR3
SCHEMBL21678806 0.96 TSHR (0.67) TSHRALDH1A1TDP1SMN1; SMN2LPAR3
SCHEMBL3625681 0.96 TSHR (0.67) TSHRALDH1A1TDP1SMN1; SMN2LPAR3
SCHEMBL8459607 0.96 TSHR (0.67) TSHRALDH1A1TDP1SMN1; SMN2LPAR3
SCHEMBL3620335 0.95 TSHR (0.69) TSHRALDH1A1TDP1SMN1; SMN2LPAR3
SCHEMBL2734737 0.89 TSHR (0.65) TSHRALDH1A1TDP1SMN1; SMN2LPAR3
SCHEMBL29193682 0.85 ALDH1A1 (0.63) TSHRALDH1A1TDP1SMN1; SMN2LPAR3
SCHEMBL8464417 0.85 TSHR (0.86) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL9258810 0.83 TSHR (0.90) TSHRALDH1A1TDP1SMN1; SMN2MAPK1

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 TSHR 1902/4885ALDH1A1 3655/4885TDP1 1767/4885
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 TSHR 1653/4885ALDH1A1 1605/4885TDP1 3027/4885

“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.