SCHEMBL4121518

SCHEMBL4121518

COC(=O)c1c(C)c(-c2cccc3ccccc23)cc(C(C)(C)C)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPK14 Q16539 4/20 0.39
HDAC8 Q9BY41 1/20 0.39
NCEH1 Q6PIU2 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
RCE1 Q9Y256 1/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL4121059 0.87 CYP11B1 (0.42) KDM4EALDH1A1HPGDNPSR1KMT2A
SCHEMBL4126795 0.84 SMN1; SMN2 (0.43) KDM4ESMN1; SMN2HTTLMNAKMT2A
SCHEMBL4126263 0.82 MEN1 (0.43) ALDH1A1HPGDSMN1; SMN2HTTLMNA
SCHEMBL4128033 0.81 SLC6A3 (0.51) KDM4EALDH1A1HPGDNPSR1HTT
SCHEMBL4123695 0.79 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL4122975 0.79 TNFRSF1A (0.42) ALDH1A1HPGDMAPK14HDAC8L3MBTL1
SCHEMBL4120806 0.77 POLQ (0.42) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL4115492 0.76 GLRA3 (0.49) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL4126942 0.75 ALPL (0.42) KDM4EALDH1A1HPGDNPSR1CYP2C9
SCHEMBL4127663 0.74 CNR2 (0.39) ALDH1A1LMNAMAPK14MAPT

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.