SCHEMBL4767466

SCHEMBL4767466

C=CCOc1ncc(C(=O)OCC)c(C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 3/20 0.46
MAPT P10636 3/20 0.46
HSP90AA1 P07900 1/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
CSNK1D P48730 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL4769593 0.85 MAPT (0.56) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL4765592 0.84 HPGD (0.46) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4770676 0.84 RAB9A (0.45) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL4769283 0.81 RAB9A (0.50) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL4772704 0.80 NPC1 (0.52) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL4762379 0.79 RAB9A (0.48) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL4771466 0.79 ALDH1A1 (0.48) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL4767468 0.78 RAB9A (0.47) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL20556217 0.78 RAB9A (0.47) RAB9ANPSR1NPC1MAPTHSP90AA1
SCHEMBL4766068 0.78 RAB9A (0.47) RAB9ANPSR1NPC1MAPTHSP90AA1

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 RAB9A 838/4885NPSR1 2069/4885NPC1 2528/4885

“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.