SCHEMBL13214616

SCHEMBL13214616

CCCC[C@H](OS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
ALDH1A1 P00352 6/20 0.39
CYP2C9 P11712 2/20 0.39
LMNA P02545 2/20 0.39
ALB P02768 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PLA2G2C Q5R387 1/20 0.38
MCHR1 Q99705 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
PLAU P00749 1/20 0.37
HPN P05981 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 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
SCHEMBL14780206 0.88 CA12 (0.44) CA2CA9CA12ALDH1A1CYP2C9
SCHEMBL14778708 0.84 CA12 (0.43) CA2CA9CA12ALDH1A1CYP2C9
SCHEMBL16039239 0.84 CA2 (0.42) CA2CA9CA12ALDH1A1CYP2C9
SCHEMBL14779807 0.83 MCHR1 (0.43) CA2CA9CA12ALDH1A1CYP2C9
SCHEMBL4209136 0.82 CA12 (0.46) CA2CA9CA12ALDH1A1CYP2C9
SCHEMBL4209138 0.82 CA12 (0.46) CA2CA9CA12ALDH1A1CYP2C9
SCHEMBL31370679 0.82 CA12 (0.46) CA2CA9CA12ALDH1A1CYP2C9
SCHEMBL2058034 0.82 CA12 (0.38) CA2CA9CA12ALDH1A1CYP2C9
SCHEMBL10346289 0.81 CA2 (0.39) CA2CA9CA12ALDH1A1CYP2C9
SCHEMBL31405884 0.80 CA12 (0.44) CA2CA9CA12ALDH1A1CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767830-B2 Aminocyclohexyl ether compounds and uses thereof CARDIOME PHARMA CORP. (CA) 2010-08-03 US disclosed
US-20070254945-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2007-11-01 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-20070254945-A1 AMINOCYCLOHEXYL ETHER COMPOUNDS AND USES THEREOF KCNH2, KCNC1, KCNH3 CA2 407/4885CA9 1150/4885CA12 700/4885

“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.