SCHEMBL4769266

SCHEMBL4769266

CCOc1nc(C)c(C(=O)OCCC(C)=C(F)F)s1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
HPGD P15428 4/20 0.44
KDM4E B2RXH2 5/20 0.41
MAPT P10636 3/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 3/20 0.39
TSHR P16473 1/20 0.39
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
DHODH Q02127 1/20 0.36

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
SCHEMBL4765315 0.92 TSHR (0.42) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL4767442 0.83 NPC1 (0.48) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL4762273 0.82 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL4767390 0.80 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL4765048 0.79 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL4771193 0.79 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL4768733 0.79 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL4767308 0.78 TSHR (0.43) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL4768805 0.77 TSHR (0.42) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL4769003 0.77 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMAPTHSD17B10

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 ALDH1A1 875/4885HPGD 3438/4885KDM4E 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.