SCHEMBL4771226

SCHEMBL4771226

CCOC(=O)c1cnc(OC2CCCC2)nc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.48
NPSR1 Q6W5P4 3/20 0.45
RAB9A P51151 3/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
NPC1 O15118 4/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
NR2F2 P24468 2/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PDE4B Q07343 2/20 0.42
S1PR2 O95136 1/20 0.41
XBP1 P17861 1/20 0.41
PPP1CA P62136 1/20 0.41
HSP90AA1 P07900 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL4765987 0.99 CSNK1D (0.47) CSNK1DNPSR1RAB9AMAOAMAOB
SCHEMBL4765049 0.83 HPGD (0.45) RAB9AMAOBNPC1KDM4EALDH1A1
SCHEMBL4763368 0.83 CSNK1D (0.35) CSNK1DNPSR1RAB9AMAOAMAOB
SCHEMBL26984412 0.83 ALDH1A1 (0.51) CSNK1DNPSR1RAB9ANPC1MAPT
SCHEMBL4767772 0.82 HPGD (0.44) RAB9AMAOBNPC1KDM4EALDH1A1
SCHEMBL4762424 0.82 CSNK1D (0.35) CSNK1DNPSR1RAB9AMAOAMAOB
SCHEMBL4763902 0.80 RAB9A (0.46) CSNK1DNPSR1RAB9ANPC1MAPT
SCHEMBL4769593 0.80 MAPT (0.56) CSNK1DNPSR1RAB9ANPC1MAPT
SCHEMBL28059191 0.77 CSNK1D (0.58) CSNK1DNPSR1RAB9ANPC1MAPT
SCHEMBL22835196 0.77 HSP90AA1 (0.54) CSNK1DNPSR1RAB9AMAOAMAOB

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
EP-1439169-B1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-08-06 EP disclosed
US-7273878-B2 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-09-25 US disclosed
US-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-12-09 US disclosed
EP-1439169-A1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-07-21 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-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor DDT, WEE1, NOTUM CSNK1D 1589/4885NPSR1 2069/4885RAB9A 838/4885

“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.