SCHEMBL4122434

SCHEMBL4122434

Cc1c(C(=O)c2ccccc2O)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.51
GLRB P48167 1/20 0.51
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 2/20 0.42
GSTA1 P08263 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HMGB1 P09429 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL4113584 0.86 GLRA3 (0.54) GLRA3GLRBALDH1A1KMT2ACYP2C9
SCHEMBL4120741 0.86 GLRA3 (0.48) GLRA3GLRBALDH1A1CYP3A4KMT2A
SCHEMBL4122437 0.80 GLRA3 (0.53) GLRA3GLRBALDH1A1KMT2ASMN1; SMN2
SCHEMBL4116615 0.78 GLRA3 (0.51) GLRA3GLRBALDH1A1SMN1; SMN2CA1
SCHEMBL2788080 0.78 GLRA3 (0.62) GLRA3GLRBALDH1A1CYP3A4KMT2A
SCHEMBL4116417 0.78 GLRA3 (0.48) GLRA3GLRBALDH1A1KMT2ACYP2C9
SCHEMBL4114134 0.77 GLRA3 (0.50) GLRA3GLRBKMT2AHPGDKDM4E
SCHEMBL4115756 0.77 GLRA3 (0.50) GLRA3GLRBKMT2ACYP2C9SMN1; SMN2
SCHEMBL4127543 0.77 GLRA3 (0.50) GLRA3GLRBALDH1A1KMT2ASMN1; SMN2
SCHEMBL4115252 0.76 GLRA3 (0.46) GLRA3GLRBCYP2C9SMN1; SMN2CA1

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 2/4885ALDH1A1 1413/4885

“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.