SCHEMBL823728

SCHEMBL823728

C=CCCCC(=O)CCCCC(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.75
ABCC4 O15439 1/20 0.75
LMNA P02545 4/20 0.50
KMT2A Q03164 1/20 0.50
NFKB1 P19838 2/20 0.48
TSHR P16473 1/20 0.48
PMP22 Q01453 1/20 0.48
FOLH1 Q04609 1/20 0.46
ALDH1A1 P00352 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
GPR84 Q9NQS5 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
AKR1B1 P15121 1/20 0.41
CYP2D6 P10635 1/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL3133627 0.98 MAPT (0.79) MAPTABCC4LMNAKMT2ANFKB1
SCHEMBL4422106 0.93 MAPT (0.87) MAPTABCC4LMNAKMT2ANFKB1
SCHEMBL13346202 0.93 MAPT (0.87) MAPTABCC4LMNAKMT2ANFKB1
SCHEMBL11247321 0.93 MAPT (0.87) MAPTABCC4LMNAKMT2ANFKB1
SCHEMBL3136737 0.93 MAPT (0.87) MAPTABCC4LMNAKMT2ANFKB1
SCHEMBL826288 0.93 MAPT (0.87) MAPTABCC4LMNAKMT2ANFKB1
SCHEMBL23012574 0.91 MAPT (0.91) MAPTABCC4LMNAKMT2ANFKB1
SCHEMBL60128 0.91
SCHEMBL29088661 0.91 MAPT (0.81) MAPTABCC4LMNAKMT2ANFKB1
SCHEMBL28518976 0.88 MAPT (0.95) MAPTABCC4LMNAKMT2ANFKB1

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 MAPT 4448/4885ABCC4 4218/4885LMNA 2675/4885
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 MAPT 4752/4885ABCC4 4535/4885LMNA 4184/4885

“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.