SCHEMBL4772690

SCHEMBL4772690

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
NFKB1 P19838 7/20 0.44
ATF1 P18846 4/20 0.44
NFKB2 Q00653 3/20 0.38
RELA Q04206 3/20 0.38
JUN P05412 2/20 0.38
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ACACB O00763 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL4762455 0.85 NPC1 (0.40) KDM4ENFKB1ATF1NFKB2RELA
SCHEMBL4762535 0.82 TSHR (0.40) KDM4ENFKB1ATF1NFKB2RELA
SCHEMBL4766959 0.81 ALDH1A1 (0.41) KDM4ENFKB1ATF1TSHRHSD17B10
SCHEMBL4769632 0.81 ALDH1A1 (0.41) KDM4ENFKB1ATF1TSHRHSD17B10
SCHEMBL4765058 0.80 RAB9A (0.37) KDM4ENFKB1NFKB2RELATSHR
SCHEMBL4765268 0.79 TSHR (0.40) KDM4ENFKB1ATF1NFKB2RELA
SCHEMBL4767254 0.76 RAB9A (0.38) KDM4ENFKB1NFKB2RELATSHR
SCHEMBL4767737 0.76 RAB9A (0.34) KDM4ETSHRHSD17B10NPC1RAB9A
SCHEMBL4765428 0.75 TSHR (0.38) KDM4ETSHRHSD17B10NPC1RAB9A
SCHEMBL25415290 0.75 KDM4E (0.71) KDM4ENFKB1ATF1NFKB2RELA

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 KDM4E 1056/4885NFKB1 1091/4885ATF1 2883/4885

“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.