SCHEMBL4125578

SCHEMBL4125578

Cc1c(-c2ccc3ccccc3c2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.49
GLRB P48167 1/20 0.49
RARB P10826 2/20 0.44
RARG P13631 2/20 0.44
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
DHODH Q02127 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
CTRC Q99895 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GSTP1 P09211 1/20 0.40
RARA P10276 1/20 0.39
ERN1 O75460 1/20 0.38
MEN1 O00255 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
SCHEMBL2789477 0.86 GLRA3 (0.57) GLRA3GLRBAKR1C3AKR1C2MEN1
SCHEMBL4113835 0.83 MCL1 (0.49) GLRA3GLRBDHODHAKR1C3AKR1C2
SCHEMBL4115482 0.82 SLC22A12 (0.47) GLRA3GLRBDHODHAKR1C3AKR1C2
SCHEMBL2790755 0.81 GLRA3 (0.50) GLRA3GLRBRARBRARGHDAC4
SCHEMBL2789496 0.81 GLRA3 (0.50) GLRA3GLRBRARBRARGDHODH
SCHEMBL4113849 0.81 GLRA3 (0.50) GLRA3GLRBAKR1C3AKR1C2SLC22A12
SCHEMBL4122027 0.80 GLRA3 (0.69) GLRA3GLRBMEN1GAAKMT2A
SCHEMBL2787696 0.80 GLRA3 (0.53) GLRA3GLRBRARBRARGDHODH
SCHEMBL2790750 0.80 GLRA3 (0.47) GLRA3GLRBHDAC4HDAC8AKR1C3
SCHEMBL4121457 0.80 GLRA3 (0.47) GLRA3GLRBHDAC4HDAC2HDAC8

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 2/4885RARB 481/4885

“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.