SCHEMBL4121809

SCHEMBL4121809

COC(=O)c1c(C)c(-c2cc(C(C)(C)C)c(O)c(C(=O)OC)c2C)cc(C(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.49
GLRB P48167 1/20 0.49
CA2 P00918 4/20 0.42
CA1 P00915 3/20 0.42
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TYR P14679 1/20 0.41
GAA P10253 4/20 0.41
CYP3A4 P08684 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ACHE P22303 1/20 0.41
VCAM1 P19320 1/20 0.40
HPGD P15428 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38

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
SCHEMBL4121813 0.94 GLRA3 (0.56) GLRA3GLRBCA2CA1POLB
SCHEMBL21303531 0.84 GLRA3 (0.62) GLRA3GLRBCA2CA1POLB
SCHEMBL4122027 0.81 GLRA3 (0.69) GLRA3GLRBCA2CA1POLB
SCHEMBL4122401 0.75 CA2 (0.44) GLRA3GLRBCA2CA1POLB
SCHEMBL4116789 0.73 ALDH1A1 (0.45) GLRA3GLRBPOLBALDH1A1GAA
SCHEMBL11796980 0.73 CYP3A4 (0.52) GLRA3GLRBCA2CA1POLB
SCHEMBL755528 0.73 GAA (0.59) GLRA3GLRBCA2CA1POLB
SCHEMBL4122067 0.72 CA2 (0.55) GLRA3GLRBCA2CA1POLB
SCHEMBL4122527 0.72 GLRA3 (0.48) GLRA3GLRBCA2CA1POLB
SCHEMBL30924510 0.71 GAA (0.52) GLRA3GLRBCA2CA1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 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-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR GLRA1, GLRB, GPBAR1 GLRA3 6/4885GLRB 2/4885CA2 339/4885

“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.