SCHEMBL1769854

SCHEMBL1769854

CC(C)CCCC(C)CCCc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
LMNA P02545 2/20 0.39
CA2 P00918 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BLM P54132 1/20 0.39
FNTA P49354 1/20 0.38
PGGT1B P53609 1/20 0.38
ALDH1A1 P00352 2/20 0.38
FUT7 Q11130 1/20 0.38
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FDFT1 P37268 1/20 0.36

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
SCHEMBL19650023 1.00 GRIN2D (0.41) GRIN2DGRIN2AGRIN2BGRIN2CLMNA
SCHEMBL16174535 0.95 FUT7 (0.43) GRIN2DGRIN2AGRIN2BGRIN2CLMNA
SCHEMBL16167058 0.94 FUT7 (0.42) GRIN2DGRIN2AGRIN2BGRIN2CLMNA
SCHEMBL16072479 0.94 LMNA (0.39) GRIN2DGRIN2AGRIN2BGRIN2CLMNA
SCHEMBL9927244 0.87 FUT7 (0.49) GRIN2DGRIN2AGRIN2BGRIN2CLMNA
SCHEMBL11868694 0.87 FUT7 (0.49) GRIN2DGRIN2AGRIN2BGRIN2CLMNA
Calcium SCHEMBL9420103 0.86 FUT7 (0.48) GRIN2DGRIN2AGRIN2BGRIN2CLMNA
SCHEMBL28576336 0.86 FUT7 (0.48) GRIN2DGRIN2AGRIN2BGRIN2CLMNA
Ammonia Solution, Strong SCHEMBL9420050 0.86 FUT7 (0.48) GRIN2DGRIN2AGRIN2BGRIN2CLMNA
SCHEMBL13294861 0.83 LMNA (0.43) LMNACA2SMN1; SMN2ALDH1A1S1PR2

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-20110112039-A1 Polysaccharides comprising carboxyl functional groups substituted via esterification by a hydrophobic alcohol ADOCIA (FR) 2011-05-12 US disclosed
US-4191842-A Protected alcohols HOFFMANN-LA ROCHE INC. (US) 1980-03-04 US disclosed
US-4151205-A Synthesis of vitamin E HOFFMAN-LA ROCHE INC. (US) 1979-04-24 US disclosed
US-4051153-A Intermediates in the synthesis of vitamin E HOFFMANN-LA ROCHE INC. (US) 1977-09-27 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-20110112039-A1 Polysaccharides comprising carboxyl functional groups substituted via esterification by a hydrophobic alcohol ADH1A, ADH5, ADH1C GRIN2D 3568/4885GRIN2A 3446/4885GRIN2B 3775/4885

“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.