SCHEMBL1870826

SCHEMBL1870826

CC(=O)NCC1OCOC1CNC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
FUCA1 P04066 1/20 0.39
TSHR P16473 1/20 0.38
MTNR1A P48039 5/20 0.38
GLA P06280 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
MTNR1B P49286 4/20 0.33
ENGASE Q8NFI3 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CACNA1H O95180 1/20 0.32
FAP Q12884 2/20 0.32
DPP4 P27487 1/20 0.32
PREP P48147 1/20 0.32

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
SCHEMBL2863034 0.74
SCHEMBL4663635 0.74
SCHEMBL12019192 0.74 FUCA1 (0.40) ALDH1A1FUCA1TSHRMTNR1AGLA
SCHEMBL1866482 0.72 FUCA1 (0.37) FUCA1MTNR1AGLANPSR1MTNR1B
SCHEMBL18535554 0.71 FUCA1 (0.42) FUCA1MTNR1AGLAENGASECACNA1H
SCHEMBL31677770 0.71
SCHEMBL14192097 0.71 SMN1; SMN2 (0.38) ALDH1A1FUCA1MTNR1AGLANPSR1
SCHEMBL1870099 0.71 MTNR1A (0.47) ALDH1A1FUCA1MTNR1AGLANPSR1
SCHEMBL1865707 0.70 FUCA1 (0.41) FUCA1MTNR1AGLANPSR1KDM4E
SCHEMBL23969067 0.69 FUCA1 (0.41) FUCA1MTNR1AGLAENGASE

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 ALDH1A1 4252/4885FUCA1 1655/4885TSHR 3200/4885

“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.