SCHEMBL4122027

SCHEMBL4122027

Cc1c(-c2cc(C(C)(C)C)c(O)c(C(=O)O)c2C)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.69
GLRB P48167 1/20 0.69
SMN1; SMN2 Q16637 4/20 0.45
CA2 P00918 3/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
TYR P14679 1/20 0.45
CA1 P00915 2/20 0.42
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 1/20 0.41
LDHA P00338 2/20 0.41
LDHB P07195 2/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
HIF1A Q16665 2/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 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 0.89 GLRA3 (0.56) GLRA3GLRBSMN1; SMN2CA2ALDH1A1
SCHEMBL4128724 0.88 GLRA3 (0.54) GLRA3GLRBSMN1; SMN2CA2ALDH1A1
SCHEMBL2789477 0.87 GLRA3 (0.57) GLRA3GLRBSMN1; SMN2CA2ALDH1A1
SCHEMBL7780129 0.87 GLRA3 (0.78) GLRA3GLRBSMN1; SMN2CA2ALDH1A1
SCHEMBL4127231 0.87 GLRA3 (0.53) GLRA3GLRBSMN1; SMN2CA2ALDH1A1
SCHEMBL9342070 0.85 GLRA3 (0.75) GLRA3GLRBSMN1; SMN2CA2ALDH1A1
SCHEMBL2789439 0.85 GLRA3 (0.54) GLRA3GLRBSMN1; SMN2CA2ALDH1A1
SCHEMBL4123849 0.84 GLRA3 (0.50) GLRA3GLRBSMN1; SMN2CA2ALDH1A1
Water SCHEMBL9341160 0.84 GLRA3 (0.72) GLRA3GLRBSMN1; SMN2CA2ALDH1A1
SCHEMBL2787696 0.83 GLRA3 (0.53) GLRA3GLRBCA2CA1CYP2C9

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-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 US disclosed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 WO 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 2/4885SMN1; SMN2 2423/4885

“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.