SCHEMBL4128724

SCHEMBL4128724

Cc1ccccc1-c1cc(C(C)(C)C)c(O)c(C(=O)O)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.54
GLRB P48167 1/20 0.54
LDHA P00338 3/20 0.46
MCL1 Q07820 1/20 0.41
HPGD P15428 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
LDHB P07195 2/20 0.39
TNFRSF1A P19438 1/20 0.39
PTPN1 P18031 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
MYC P01106 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CA2 P00918 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
SCHEMBL4122027 0.88 GLRA3 (0.69) GLRA3GLRBLDHAKMT2AMEN1
SCHEMBL2789477 0.85 GLRA3 (0.57) GLRA3GLRBKMT2AMEN1GAA
SCHEMBL4127231 0.84 GLRA3 (0.53) GLRA3GLRBLDHAMCL1KMT2A
SCHEMBL4115492 0.84 GLRA3 (0.49) GLRA3GLRBLDHAMCL1HPGD
SCHEMBL4122527 0.80 GLRA3 (0.48) GLRA3GLRBMCL1KMT2AGAA
SCHEMBL11492238 0.80 LDHA (0.49) LDHAMCL1HPGDKMT2ALDHB
SCHEMBL4125578 0.79 GLRA3 (0.49) GLRA3GLRBKMT2AMEN1GAA
SCHEMBL4121813 0.78 GLRA3 (0.56) GLRA3GLRBLDHAHPGDKMT2A
SCHEMBL4128242 0.77 SLC22A12 (0.46) GLRA3GLRBHPGDKMT2AMEN1
SCHEMBL4126049 0.77 GLRA3 (0.44) GLRA3GLRBGAAALDH1A1POLB

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 2/4885LDHA 2814/4885

“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.