SCHEMBL4122527

SCHEMBL4122527

COc1ccc(-c2cc(C(C)(C)C)c(O)c(C(=O)O)c2C)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.48
GLRB P48167 1/20 0.48
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
KDM4E B2RXH2 6/20 0.41
GAA P10253 3/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
G6PD P11413 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.36
PRKAB2 O43741 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
SCHEMBL2790755 0.85 GLRA3 (0.50) GLRA3GLRBCA1CA2KDM4E
SCHEMBL4127231 0.84 GLRA3 (0.53) GLRA3GLRBCA2KDM4EGAA
SCHEMBL4122027 0.82 GLRA3 (0.69) GLRA3GLRBCA1CA2GAA
SCHEMBL2790750 0.81 GLRA3 (0.47) GLRA3GLRBCA1CA2KDM4E
SCHEMBL4128724 0.80 GLRA3 (0.54) GLRA3GLRBCA2KDM4EGAA
SCHEMBL4121813 0.79 GLRA3 (0.56) GLRA3GLRBCA1CA2KDM4E
SCHEMBL4123849 0.74 GLRA3 (0.50) GLRA3GLRBCA1CA2SMN1; SMN2
SCHEMBL2789477 0.74 GLRA3 (0.57) GLRA3GLRBCA1CA2GAA
SCHEMBL4127417 0.74 GAA (0.50) GLRA3GLRBCA1CA2GAA
SCHEMBL4115630 0.74 GLRA3 (0.47) GLRA3GLRBCA1CA2KMT2A

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 6 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
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 2/4885CA1 730/4885

“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.