SCHEMBL1865707

SCHEMBL1865707

CC(=O)NCC1COCOC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 1/20 0.41
MTNR1A P48039 10/20 0.39
MTNR1B P49286 7/20 0.37
CACNA1H O95180 1/20 0.36
GLA P06280 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32
ALOX15 P16050 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
SCHEMBL13854076 0.91
SCHEMBL15461404 0.88 FUCA1 (0.41) FUCA1MTNR1AMTNR1BCACNA1HGLA
SCHEMBL31678251 0.80 NAMPT (0.40) FUCA1MTNR1ACACNA1HTDP1MAPK1
SCHEMBL15461396 0.80 NAMPT (0.40) FUCA1MTNR1ACACNA1HTDP1MAPK1
SCHEMBL15492739 0.77 NAMPT (0.43) FUCA1MTNR1ACACNA1HMAPK1CA12
SCHEMBL1870099 0.76 MTNR1A (0.47) FUCA1MTNR1AMTNR1BGLANPSR1
SCHEMBL1869077 0.76 FUCA1 (0.36) FUCA1MTNR1AMTNR1BCACNA1HGLA
SCHEMBL3394009 0.75 NPC1 (0.43) FUCA1MTNR1AMTNR1BCACNA1HTDP1
SCHEMBL13165688 0.75 TDP1 (0.58) FUCA1MTNR1AMTNR1BCACNA1HGLA
SCHEMBL48633 0.75

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 4 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-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
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 FUCA1 1655/4885MTNR1A 2515/4885MTNR1B 2329/4885

“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.