SCHEMBL2078992

SCHEMBL2078992

CC1=C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2C[C@@H](C)[C@]3(O)C(=O)O)[C@@]2(C)Cc3cnn(-c4ccccc4)c3C=C12

nearest known ligand 0.90

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.90
MEN1 O00255 1/20 0.90
KMT2A Q03164 1/20 0.90
NPSR1 Q6W5P4 1/20 0.90
NR3C1 P04150 18/20 0.49
HSP90AA1 P07900 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
SCHEMBL10311797 0.94 KDM4E (0.87) KDM4EMEN1KMT2ANPSR1NR3C1
SCHEMBL29610995 0.93 KDM4E (0.85) KDM4EMEN1KMT2ANPSR1NR3C1
Cortivazol SCHEMBL21340660 0.89 KDM4E (0.82) KDM4EMEN1KMT2ANPSR1NR3C1
Cortivazol SCHEMBL4875 0.89 KDM4E (0.82) KDM4EMEN1KMT2ANPSR1NR3C1
SCHEMBL17273905 0.89 KDM4E (0.79) KDM4EMEN1KMT2ANPSR1NR3C1
Cortivazol SCHEMBL6820239 0.89 KDM4E (0.81) KDM4EMEN1KMT2ANPSR1NR3C1
Cortivazol SCHEMBL10455984 0.89 KDM4E (0.81) KDM4EMEN1KMT2ANPSR1NR3C1
Cortivazol SCHEMBL4969166 0.85 KDM4E (0.74) KDM4EMEN1KMT2ANPSR1NR3C1
SCHEMBL1816131 0.84 KDM4E (0.71) KDM4EMEN1KMT2ANPSR1NR3C1
SCHEMBL22946293 0.83 KDM4E (0.71) KDM4EMEN1KMT2ANPSR1NR3C1

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-20120178726-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2012-07-12 US disclosed
US-20120178726-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2012-07-12 US disclosed
US-20120178726-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2012-07-12 US disclosed
US-8163724-B2 Glucocorticosteroids, processes for their preparation, pharmaceutical compositions containing them and their use in therapy ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-8163724-B2 Glucocorticosteroids, processes for their preparation, pharmaceutical compositions containing them and their use in therapy ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-8163724-B2 Glucocorticosteroids, processes for their preparation, pharmaceutical compositions containing them and their use in therapy ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-20090286835-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2009-11-19 US disclosed
US-20090286835-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2009-11-19 US disclosed
US-20090286835-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2009-11-19 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 (2 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-20120178726-A1 NOVEL COMPOUNDS F12, C1R, CXCR4 KDM4E 1428/4885MEN1 1198/4885KMT2A 2856/4885
US-20090286835-A1 NOVEL COMPOUNDS F12, C1R, CXCR4 KDM4E 1428/4885MEN1 1198/4885KMT2A 2856/4885

“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.