SCHEMBL4126049

SCHEMBL4126049

Cc1c(-c2cccc3cccnc23)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.40
ALOX12 P18054 2/20 0.40
DHODH Q02127 1/20 0.38
KDR P35968 2/20 0.37
CTRC Q99895 1/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PSD A5PKW4 1/20 0.36
TSHR P16473 2/20 0.36
MMP2 P08253 1/20 0.36
CHRM1 P11229 1/20 0.36
COMT P21964 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
SCHEMBL4129283 0.83 SLC22A12 (0.45) GLRA3GLRBDHODH
SCHEMBL4115492 0.81 GLRA3 (0.49) GLRA3GLRBALDH1A1HSD17B10GAA
SCHEMBL4113835 0.80 MCL1 (0.49) GLRA3GLRBALDH1A1DHODHPOLB
SCHEMBL4122027 0.79 GLRA3 (0.69) GLRA3GLRBALDH1A1LMNAGAA
SCHEMBL4126263 0.78 MEN1 (0.43) ALDH1A1LMNASMN1; SMN2POLBRAB9A
SCHEMBL4128724 0.77 GLRA3 (0.54) GLRA3GLRBALDH1A1HSD17B10GAA
SCHEMBL4128242 0.74 SLC22A12 (0.46) GLRA3GLRBALDH1A1HSD17B10KDM4E
SCHEMBL2789477 0.74 GLRA3 (0.57) GLRA3GLRBALDH1A1GAASMN1; SMN2
SCHEMBL28178584 0.74 ALDH1A1 (0.52) ALDH1A1LMNAALOX12DHODHKDR
SCHEMBL4115482 0.74 SLC22A12 (0.47) GLRA3GLRBDHODHKDRSMN1; SMN2

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.