SCHEMBL4765629

SCHEMBL4765629

CCCCOc1ncc(C(=O)O)c(C)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MAPK8 P45983 3/20 0.48
HPGD P15428 1/20 0.47
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42

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
SCHEMBL4771388 0.95 KDM4E (0.58) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4770721 0.94 KDM4E (0.56) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4772706 0.94 KDM4E (0.56) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4769519 0.94 KDM4E (0.56) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4770846 0.92 RAB9A (0.53) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4763603 0.86 RAB9A (0.48) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4767378 0.85 HPGD (0.51) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4772704 0.85 NPC1 (0.52) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4762107 0.85 NPC1 (0.47) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4767656 0.84 HPGD (0.47) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

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 NPC1 2528/4885RAB9A 838/4885KDM4E 1056/4885

“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.