SCHEMBL11890836

SCHEMBL11890836

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nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
MTNR1A P48039 3/20 0.31
MTNR1B P49286 3/20 0.31
NEU1 Q99519 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL15223105 0.83 KDM4E (0.31) KDM4E
SCHEMBL17019095 0.82 CCNE2 (0.37) KDM4ECCNE2CCNE1CDK2NPC1
SCHEMBL11413052 0.78 KDM4E (0.56) KDM4ENPC1MAPK1HIF1AMTNR1A
SCHEMBL13280858 0.78 KDM4E (0.56) KDM4ENPC1MAPK1HIF1AMTNR1A
SCHEMBL5707586 0.78 KDM4E (0.56) KDM4ENPC1MAPK1HIF1AMTNR1A
SCHEMBL12510383 0.78 KDM4E (0.56) KDM4ENPC1MAPK1HIF1AMTNR1A
SCHEMBL6674457 0.78 KDM4E (0.56) KDM4ENPC1MAPK1HIF1AMTNR1A
SCHEMBL15223845 0.78 KDM4E (0.35) KDM4ENPC1MAPK1HIF1AMTNR1A
SCHEMBL1866035 0.76 KDM4E (0.43) KDM4ENPC1MAPK1HIF1AMTNR1A
SCHEMBL1866034 0.76 KDM4E (0.43) KDM4ENPC1MAPK1HIF1AMTNR1A

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-20120190832-A1 LOW-MOLECULAR SERINE PROTEASES INHIBITORS COMPRISING POLYHYDROXY-ALKYL AND POLYHYDROXY-CYCLOALKYL RADICALS ABBOTT GMBH & CO. KG (DE) 2012-07-26 US disclosed
US-20120190832-A1 LOW-MOLECULAR SERINE PROTEASES INHIBITORS COMPRISING POLYHYDROXY-ALKYL AND POLYHYDROXY-CYCLOALKYL RADICALS ABBOTT GMBH & CO. KG (DE) 2012-07-26 US disclosed
US-20110071285-A1 LOW-MOLECULAR SERINE PROTEASES INHIBITORS COMPRISING POLYHYDROXY-ALKYL AND POLYHYDROXY-CYCLOALKYL RADICALS ABBOTT GMBH & CO. KG (DE) 2011-03-24 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-20110071285-A1 LOW-MOLECULAR SERINE PROTEASES INHIBITORS COMPRISING POLYHYDROXY-ALKYL AND POLYHYDROXY-CYCLOALKYL RADICALS F2R, C1R, PRSS1 KDM4E 2144/4885CCNE2 1506/4885CCNE1 1289/4885
US-20120190832-A1 LOW-MOLECULAR SERINE PROTEASES INHIBITORS COMPRISING POLYHYDROXY-ALKYL AND POLYHYDROXY-CYCLOALKYL RADICALS F2R, C1R, PRSS1 KDM4E 2144/4885CCNE2 1506/4885CCNE1 1289/4885

“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.