SCHEMBL823882

SCHEMBL823882

C=CCOCCOCCOC(=O)CCCCC(=O)CCCCCSC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
DGKA P23743 1/20 0.39
EPHX2 P34913 2/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 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
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
DNM1 Q05193 1/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL14355194 0.88 ALDH1A1 (0.43) TSHRDGKAEPHX2ALDH1A1LMNA
SCHEMBL823903 0.84 EPHX2 (0.44) DGKAEPHX2HDAC3HDAC4HDAC1
SCHEMBL823735 0.82 L3MBTL1 (0.34) TSHRALDH1A1HDAC3HDAC4HDAC1
SCHEMBL825923 0.81 TSHR (0.46) TSHRDGKAEPHX2ALDH1A1LMNA
SCHEMBL823881 0.81 TSHR (0.46) TSHRDGKAEPHX2ALDH1A1LMNA
SCHEMBL3224284 0.79 TSHR (0.55) TSHRDGKAEPHX2ALDH1A1LMNA
SCHEMBL20466247 0.79 EPHX2 (0.46) DGKAEPHX2HDAC3HDAC4HDAC1
SCHEMBL6408642 0.77 TSHR (0.73) TSHRDGKAEPHX2ALDH1A1LMNA
SCHEMBL823872 0.76 LMNA (0.33) EPHX2ALDH1A1LMNA
SCHEMBL8104183 0.76 TSHR (0.57) TSHRDGKAEPHX2ALDH1A1LMNA

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 2652/4885EPHX2 3420/4885

“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.