SCHEMBL4121059

SCHEMBL4121059

COC(=O)c1c(C)c(-c2cncc3ccccc23)cc(C(C)(C)C)c1OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
CYP17A1 P05093 12/20 0.41
SLC22A12 Q96S37 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ERN1 O75460 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4121518 0.87 KDM4E (0.42) CYP2C9CYP2C19ALDH1A1HPGDKDM4E
SCHEMBL4120806 0.78 POLQ (0.42) SLC22A12ALDH1A1HPGDKDM4EMEN1
SCHEMBL4128242 0.78 SLC22A12 (0.46) CYP11B1CYP11B2CYP17A1SLC22A12CYP1A2
SCHEMBL4128033 0.78 SLC6A3 (0.51) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL4126263 0.77 MEN1 (0.43) ALDH1A1HPGDMEN1KMT2A
SCHEMBL4126795 0.76 SMN1; SMN2 (0.43) SLC22A12KDM4EERN1MEN1KMT2A
SCHEMBL4122975 0.75 TNFRSF1A (0.42) ALDH1A1HPGDERN1
SCHEMBL4123695 0.75 KDM4E (0.43) CYP3A4ALDH1A1HPGDKDM4EERN1
SCHEMBL4123242 0.73 ALOX15 (0.48) ALDH1A1MEN1KMT2A
SCHEMBL4114952 0.73 CYP3A4 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 CYP11B1 680/4885CYP11B2 748/4885CYP17A1 984/4885

“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.