SCHEMBL4765048

SCHEMBL4765048

CCC(CC)c1nc(C)c(C(=O)OCCC(C)=C(F)F)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
KDM4E B2RXH2 4/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
POLB P06746 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
SCHEMBL4771205 0.92 TSHR (0.39) ALDH1A1HPGDHSD17B10TSHRCDC7
SCHEMBL4768733 0.88 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10TSHRCDC7
SCHEMBL4767442 0.82 NPC1 (0.48) ALDH1A1HPGDHSD17B10TSHRCDC7
SCHEMBL4762273 0.81 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10TSHRCDC7
SCHEMBL4768971 0.80 TSHR (0.38) ALDH1A1HPGDHSD17B10TSHRCDC7
SCHEMBL4769266 0.79 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10TSHRCDC7
SCHEMBL4767390 0.79 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10TSHRCDC7
SCHEMBL4769003 0.78 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10TSHRCDC7
SCHEMBL4771193 0.78 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10TSHRCDC7
SCHEMBL4767308 0.77 TSHR (0.43) ALDH1A1HPGDHSD17B10TSHRCDC7

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 3438/4885HSD17B10 3616/4885

“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.