SCHEMBL4133977

SCHEMBL4133977

CC(C)(C)c1cc(C(C)(C)C)c(Cl)c(C(=O)O)c1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.75
GLRB P48167 1/20 0.75
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GABBR2 O75899 2/20 0.40
GABBR1 Q9UBS5 2/20 0.40
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
TP53 P04637 1/20 0.39
HIF1A Q16665 1/20 0.39
DPP4 P27487 1/20 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
SCHEMBL2791325 0.86 GLRA3 (1.00) GLRA3GLRBCA2CA1SMN1; SMN2
SCHEMBL7780129 0.79 GLRA3 (0.78) GLRA3GLRBCA2CA1SMN1; SMN2
SCHEMBL1457169 0.79 GLRA3 (0.65) GLRA3GLRBCA2CA1SMN1; SMN2
SCHEMBL11780929 0.79 GLRA3 (0.77) GLRA3GLRBCA2CA1SMN1; SMN2
SCHEMBL9342070 0.78 GLRA3 (0.75) GLRA3GLRBCA2CA1SMN1; SMN2
SCHEMBL19193904 0.77 GLRA3 (0.81) GLRA3GLRBCA2CA1SMN1; SMN2
Water SCHEMBL9341160 0.76 GLRA3 (0.72) GLRA3GLRBCA2CA1SMN1; SMN2
SCHEMBL3129131 0.76 CA2 (0.52) GLRA3GLRBCA2CA1SMN1; SMN2
SCHEMBL9149388 0.75 CA2 (0.56) GLRA3GLRBCA2CA1SMN1; SMN2
SCHEMBL5589886 0.75 GLRA3 (0.50) GLRA3GLRBCA2CA1SMN1; SMN2

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 9 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 claimed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP claimed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 WO claimed
CN-113735853-B Organometallic complex, electroluminescent element containing organometallic complex and compound formula 上海八亿时空先进材料有限公司 2022-03-22 CN disclosed
CN-113735853-A Organometallic complex, electroluminescent element containing organometallic complex and compound formula 上海八亿时空先进材料有限公司 2021-12-03 CN disclosed
WO-2016190871-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. (US) 2016-12-01 WO disclosed
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 2/4885CA2 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.