SCHEMBL1870099

SCHEMBL1870099

CC(=O)NCC1COCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.47
FUCA1 P04066 1/20 0.39
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
LMNA P02545 1/20 0.31
MAOA P21397 1/20 0.31
PTGS1 P23219 1/20 0.31
MAOB P27338 1/20 0.31
CALML3 P27482 1/20 0.31
SDHA P31040 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
BCHE P06276 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL4663635 0.86
SCHEMBL2863034 0.86
SCHEMBL15500189 0.83 MTNR1A (0.46) MTNR1AFUCA1USP2SMN1; SMN2KDM4E
SCHEMBL1865707 0.76 FUCA1 (0.41) MTNR1AFUCA1GLANPSR1KDM4E
SCHEMBL31677770 0.74
SCHEMBL28130306 0.74
SCHEMBL28984229 0.73
SCHEMBL27522667 0.73
SCHEMBL28984239 0.73
Acetic Acid SCHEMBL10396253 0.72 ALDH1A1 (0.32) ALDH1A1

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 MTNR1A 2515/4885FUCA1 1655/4885GLA 3535/4885

“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.