SCHEMBL4115159

SCHEMBL4115159

CC(C)c1cc(C(C)C)c(O)c(C(=O)O)c1O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.57
FABP4 P15090 1/20 0.57
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
GABRA1 P14867 5/20 0.48
GABRB1 P18505 4/20 0.48
LDHA P00338 2/20 0.47
LDHB P07195 2/20 0.47
GAA P10253 3/20 0.47
GLRA3 O75311 1/20 0.47
GLRB P48167 1/20 0.47
GABRB2 P47870 2/20 0.46
BCL2 P10415 1/20 0.44
MCL1 Q07820 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
ALB P02768 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL11754534 0.82 LDHA (0.49) FABP3FABP4CA1CA2GABRA1
SCHEMBL17935194 0.81 CA1 (0.68) FABP3FABP4CA1CA2GABRA1
SCHEMBL9249253 0.80 FABP3 (0.50) FABP3FABP4CA1CA2GABRA1
SCHEMBL2788418 0.79 THRA (0.47) FABP3FABP4CA1CA2GABRA1
SCHEMBL2787398 0.79 FABP3 (0.46) FABP3FABP4CA1CA2GABRA1
SCHEMBL14273020 0.77 FABP3 (0.69) FABP3FABP4CA1CA2GABRA1
SCHEMBL19164751 0.77 FABP3 (0.63) FABP3FABP4CA1CA2GABRA1
SCHEMBL4319072 0.77 GABRA1 (0.63) FABP3FABP4CA1CA2GABRA1
SCHEMBL14760793 0.77 FABP3 (0.47) FABP3FABP4CA1CA2GABRA1
SCHEMBL21686487 0.77 CYP1A2 (0.58) FABP3FABP4GABRA1GABRB1LDHA

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 9 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
CN-101218201-A Benzoic acid derivatives as GlyR modulators or agonists ASTRAZENECA AB (SE) 2008-07-09 CN 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
CN-101218201-A Benzoic acid derivatives as GlyR modulators or agonists ASTRAZENECA AB (SE) 2008-07-09 CN 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
US-4046941-A PRESSURE SENSITIVE COPYING SANKO CHEMICAL COMPANY LTD. (JA) 1977-09-06 US 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 FABP3 1569/4885FABP4 1633/4885CA1 730/4885

“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.