SCHEMBL1865543

SCHEMBL1865543

CC(=O)NC1COCOC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.42
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MTNR1A P48039 3/20 0.38
MTNR1B P49286 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
CA12 O43570 3/20 0.33
CA9 Q16790 2/20 0.33
TLR4 O00206 1/20 0.33
CA7 P43166 2/20 0.32
CA14 Q9ULX7 2/20 0.32
ALOX15 P16050 1/20 0.31

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
SCHEMBL8232581 0.90
SCHEMBL812054 0.78
SCHEMBL12331137 0.77
SCHEMBL12332204 0.77
SCHEMBL12409239 0.77
SCHEMBL17472227 0.74 ATM (0.41) ATMALDH1A1KDM4EMTNR1AMTNR1B
SCHEMBL13191736 0.74 ATM (0.41) ATMALDH1A1KDM4EMTNR1AMTNR1B
SCHEMBL20327233 0.74 ATM (0.41) ATMALDH1A1KDM4EMTNR1AMTNR1B
SCHEMBL15932493 0.74 ALDH1A1 (0.43) ATMALDH1A1KDM4EMTNR1ACA1
SCHEMBL15932494 0.74 ALDH1A1 (0.43) ATMALDH1A1KDM4EMTNR1ACA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43858-E1 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-11 US disclosed
US-RE43858-E1 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-11 US disclosed
US-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1935879-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-06-25 EP disclosed
EP-1935879-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-06-25 EP 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-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE CD40, LITAF, TNF ATM 1071/4885ALDH1A1 4252/4885KDM4E 4338/4885

“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.