SCHEMBL825923

SCHEMBL825923

C=CCOCCOCCOCCOC(=O)CCCCC(=O)CCCCCCCCCCS

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
DGKA P23743 1/20 0.41
ALDH1A1 P00352 4/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHX2 P34913 3/20 0.36
DNM1 Q05193 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.33
FOLH1 Q04609 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL823881 1.00 TSHR (0.46) TSHRDGKAALDH1A1TP53HIF1A
SCHEMBL14355193 0.86 ALDH1A1 (0.46) TSHRDGKAALDH1A1TP53HIF1A
SCHEMBL3224284 0.86 TSHR (0.55) TSHRDGKAALDH1A1TP53HIF1A
SCHEMBL28607086 0.84 TSHR (0.42) TSHRDGKAALDH1A1TP53HIF1A
SCHEMBL28605335 0.84 TSHR (0.42) TSHRDGKAALDH1A1TP53HIF1A
SCHEMBL7256465 0.81 ALDH1A1 (0.54) TSHRDGKAALDH1A1TP53HIF1A
SCHEMBL823882 0.81 TSHR (0.43) TSHRDGKAALDH1A1TP53HIF1A
SCHEMBL8944013 0.81 TSHR (0.68) TSHRDGKAALDH1A1HSD17B10EPHX2
SCHEMBL6408642 0.80 TSHR (0.73) TSHRDGKAALDH1A1EPHX2DNM1
SCHEMBL4277447 0.79 ALDH1A1 (0.45) TSHRDGKAALDH1A1TP53HIF1A

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 6 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
EP-1798250-B1 Molecules suitable for binding to a metal layer for covalently immobilizing biomolecules IMEC INTER UNI MICRO ELECTR (BE) 2008-09-03 EP 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
EP-1798250-A2 Molecules suitable for binding to a metal layer for covalently immobilizing biomolecules INTERUNIVERSITAIR MICROELEKTRONICA CENTRUM vzw (IMEC) (BE) 2007-06-20 EP 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 1902/4885DGKA 2652/4885ALDH1A1 3655/4885
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 1653/4885DGKA 1998/4885ALDH1A1 1605/4885

“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.