SCHEMBL4127834

SCHEMBL4127834

Cc1c(-c2cc3ccccc3o2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.46
GLRB P48167 1/20 0.46
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TOP2A P11388 1/20 0.42
CYP3A4 P08684 1/20 0.40
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NFKB1 P19838 1/20 0.38
NPY1R P25929 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 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
SCHEMBL2789477 0.78 GLRA3 (0.57) GLRA3GLRBMEN1KMT2APOLB
SCHEMBL4123695 0.77 KDM4E (0.43) MEN1KMT2ATDP1POLBCTDSP1
SCHEMBL4122027 0.77 GLRA3 (0.69) GLRA3GLRBMEN1KMT2ATDP1
SCHEMBL4115492 0.77 GLRA3 (0.49) GLRA3GLRBMEN1KMT2AALDH1A1
SCHEMBL4125578 0.77 GLRA3 (0.49) GLRA3GLRBMEN1KMT2ATSHR
SCHEMBL4128724 0.76 GLRA3 (0.54) GLRA3GLRBMEN1KMT2APOLB
SCHEMBL4123304 0.74 GLRA3 (0.46) GLRA3GLRBCA12CA1CA4
SCHEMBL27690303 0.74 MAOB (0.49) MEN1KMT2ATDP1POLBCTDSP1
SCHEMBL4128242 0.73 SLC22A12 (0.46) GLRA3GLRBMEN1KMT2ACYP3A4
SCHEMBL4115482 0.72 SLC22A12 (0.47) GLRA3GLRBPOLBRAB9ANPC1

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 2/4885MEN1 2512/4885

“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.