SCHEMBL4122401

SCHEMBL4122401

COC(=O)c1c(C)ccc(C(C)(C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.44
CA1 P00915 3/20 0.44
CA12 O43570 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
CYP3A4 P08684 3/20 0.42
ACHE P22303 1/20 0.42
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 3/20 0.37
GLO1 Q04760 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
SCHEMBL4122067 0.84 CA2 (0.55) CA2CA1CA12CA7CA9
SCHEMBL17378860 0.81 CA2 (0.43) CA2CA1CA12CA7CA9
SCHEMBL18176572 0.81 CA12 (0.54) CA2CA1CA12CA7CA9
Salycilic Acid SCHEMBL1457176 0.80 GLRA3 (0.60) CA2GABRA1GABRB2CYP3A4ACHE
Salycilic Acid SCHEMBL29623842 0.80 GLRA3 (0.60) CA2GABRA1GABRB2CYP3A4ACHE
SCHEMBL1456787 0.80 MAPT (0.44) CA2GABRA1GABRB2GLRA3GLRB
SCHEMBL21303531 0.78 GLRA3 (0.62) CA2CA1CA12CA7CA9
SCHEMBL10522239 0.78 CA12 (0.55) CA2CA1CA12CA7CA9
SCHEMBL17245280 0.77 CA2 (0.50) CA2CA1CA12CA7CA9
Salycilic Acid SCHEMBL10788247 0.77 GABRA1 (0.44) CA2CA1GABRA1GABRB2GLRA3

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 3 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 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 CA2 339/4885CA1 730/4885CA12 1782/4885

“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.