SCHEMBL4134604

SCHEMBL4134604

COC(=O)c1c(C)c(-c2ccc(Cl)c(Cl)c2)cc(C(C)(C)C)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.41
SLC6A2 P23975 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
KMO O15229 1/20 0.39
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
RCE1 Q9Y256 1/20 0.38
SLC6A4 P31645 3/20 0.37
PRKCZ Q05513 1/20 0.37
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
FABP4 P15090 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
SCHEMBL4128033 0.82 SLC6A3 (0.51) SLC6A3SLC6A2LMNAALDH1A1HPGD
SCHEMBL4126942 0.81 ALPL (0.42) SLC6A3MAPTALDH1A1HPGDKDM4E
SCHEMBL4113737 0.79 TAS1R3 (0.39) SLC6A3SLC6A2MAPTLMNAALDH1A1
SCHEMBL4127663 0.77 CNR2 (0.39) MAPTLMNAALDH1A1
SCHEMBL4123242 0.77 ALOX15 (0.48) MAPTALDH1A1AKR1C3AKR1C2RAB9A
SCHEMBL4123104 0.77 AKR1C3 (0.38) NOTUMALDH1A1AKR1C3AKR1C2
SCHEMBL4126095 0.76 MAPT (0.48) MAPTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL4128012 0.76 MAPT (0.44) MAPTLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL4113849 0.75 GLRA3 (0.50) MAPTLMNASMN1; SMN2AKR1C3AKR1C2
SCHEMBL4114952 0.75 CYP3A4 (0.42) MAPTLMNAALDH1A1HPGDSMN1; 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 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 SLC6A3 1449/4885SLC6A2 1525/4885MAPT 3830/4885

“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.