Sugi Predict

Sugi Predict / Compounds / SCHEMBL823856

SCHEMBL823856

SCHEMBL823856

CC(=O)SCCCCCCCCCCCOCCOC(=O)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.42
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ HDAC4 P56524 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ RECQL P46063 1/20 0.31
▸ ADORA3 P0DMS8 3/20 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
SCHEMBL823827 0.80 HDAC4 (0.34) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL30917919 0.78 CES2 (0.42) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL823817 0.78 ESR1 (0.44) ESR1CA1CA2RECQL
SCHEMBL825582 0.78 ESR1 (0.44) ESR1CA1CA2RECQL
SCHEMBL3625514 0.78 ESR1 (0.44) ESR1CA1CA2RECQL
SCHEMBL823792 0.77 CES2 (0.34) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL1469566 0.77 HDAC4 (0.35) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL823690 0.76 HDAC3 (0.34) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL1471178 0.74 ALDH1A1 (0.38) CA2HDAC4HDAC1HDAC6HDAC3
SCHEMBL1469721 0.74 MEN1 (0.52) HDAC4HDAC1HDAC6HDAC3HDAC7

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 ESR1 838/4885CA1 1438/4885CA2 1014/4885
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 ESR1 615/4885CA1 1379/4885CA2 579/4885

“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.