SCHEMBL4122437

SCHEMBL4122437

Cc1ccc(C(=O)c2cc(C(C)(C)C)c(O)c(C(=O)O)c2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.53
GLRB P48167 1/20 0.53
AKR1C3 P42330 1/20 0.49
SRD5A2 P31213 3/20 0.44
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 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
SCHEMBL4116615 0.90 GLRA3 (0.51) GLRA3GLRBAKR1C3SRD5A2ALDH1A1
SCHEMBL4113584 0.90 GLRA3 (0.54) GLRA3GLRBAKR1C3ALDH1A1LMNA
SCHEMBL4127543 0.89 GLRA3 (0.50) GLRA3GLRBAKR1C3SRD5A2ALDH1A1
SCHEMBL4115756 0.89 GLRA3 (0.50) GLRA3GLRBAKR1C3SRD5A2LMNA
SCHEMBL4121830 0.87 GLRA3 (0.48) GLRA3GLRBAKR1C3SRD5A2TDP1
SCHEMBL4126309 0.84 GLRA3 (0.48) GLRA3GLRBSRD5A2ALDH1A1LMNA
SCHEMBL4122728 0.84 GLRA3 (0.44) GLRA3GLRBNPC1
SCHEMBL4116563 0.81 GLRA3 (0.44) GLRA3GLRBSRD5A2ALDH1A1SMN1; SMN2
SCHEMBL4128153 0.81 GLRA3 (0.44) GLRA3GLRBSRD5A2ALDH1A1TDP1
SCHEMBL4122434 0.80 GLRA3 (0.51) GLRA3GLRBALDH1A1LMNATDP1

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 2/4885AKR1C3 857/4885

“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.