SCHEMBL4123695

SCHEMBL4123695

COC(=O)c1c(C)c(-c2cc3ccccc3o2)cc(C(C)(C)C)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 6/20 0.39
MAPK14 Q16539 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 2/20 0.39
CASP3 P42574 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
MEN1 O00255 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 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
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38
TP53 P04637 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
SCHEMBL4128033 0.79 SLC6A3 (0.51) KDM4EALDH1A1HPGDSLC6A3KMT2A
SCHEMBL4121518 0.79 KDM4E (0.42) KDM4EALDH1A1HPGDKMT2AMAPK14
SCHEMBL4127834 0.77 GLRA3 (0.46) KDM4EALDH1A1HPGDKMT2ATDP1
SCHEMBL4122975 0.76 TNFRSF1A (0.42) ALDH1A1HPGDSLC6A3MAPK14ERN1
SCHEMBL4121059 0.75 CYP11B1 (0.42) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL4120806 0.74 POLQ (0.42) KDM4EALDH1A1HPGDKMT2AMAPT
SCHEMBL4126263 0.73 MEN1 (0.43) ALDH1A1HPGDKMT2AMAPTMEN1
SCHEMBL14052686 0.72 KDM4E (0.50) KDM4EALDH1A1HPGDSLC6A3KMT2A
SCHEMBL4123242 0.72 ALOX15 (0.48) ALDH1A1KMT2AMAPTMEN1NPC1
SCHEMBL4114952 0.71 CYP3A4 (0.42) KDM4EALDH1A1HPGDTDP1MAPT

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 KDM4E 3259/4885ALDH1A1 1413/4885HPGD 1724/4885

“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.