SCHEMBL4763122

SCHEMBL4763122

CC(CCOC(=O)c1cc(-c2ccccc2)n(-c2ccccc2)c1C)=C(F)F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.52
TP53 P04637 7/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 5/20 0.50
NPSR1 Q6W5P4 1/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CHRNA7 P36544 2/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5922348 0.82 LMNA (0.69) PLK1TP53LMNAPOLBMAPT
SCHEMBL2884407 0.77 CHRNA7 (0.72) TP53LMNAPOLBMAPTSMN1; SMN2
SCHEMBL4767573 0.75 MAPK1 (0.56) LMNAPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL7167950 0.75 MAPT (0.75) TP53LMNAPOLBMAPTNPSR1
SCHEMBL10369631 0.75 PLK1 (0.71) PLK1TP53LMNAPOLBMAPT
SCHEMBL24157409 0.74 ALDH1A1 (0.59) PLK1TP53LMNAPOLBMAPT
SCHEMBL7168904 0.74 CHRNA7 (0.60) TP53LMNAPOLBMAPTNPSR1
SCHEMBL7165586 0.74 TP53 (0.74) PLK1TP53LMNAPOLBMAPT
SCHEMBL5922342 0.74 CHRNA7 (0.72) TP53LMNAPOLBMAPTNPSR1
SCHEMBL2888752 0.74 CHRNA7 (0.72) TP53LMNAPOLBMAPTSMN1; 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 PLK1 3635/4885TP53 1193/4885LMNA 4259/4885

“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.