SCHEMBL4765801

SCHEMBL4765801

CC(CCOC(=O)c1nc(Oc2cccc(C(F)(F)F)c2)cc(N(C)C)n1)=C(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
KDM4E B2RXH2 4/20 0.42
BRAF P15056 1/20 0.41
KDR P35968 1/20 0.41
MAPK14 Q16539 1/20 0.41
TNNI3K Q59H18 1/20 0.41
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CACNA1B Q00975 2/20 0.36
RAB9A P51151 1/20 0.36
P2RY1 P47900 1/20 0.36
F2 P00734 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
SCHEMBL8723510 0.81 MAPT (0.52) MAPTKDM4EBRAFKDRMAPK14
SCHEMBL8720577 0.80 MAPT (0.51) MAPTKDM4EBRAFKDRMAPK14
SCHEMBL8721730 0.74 KDR (0.52) MAPTKDM4EBRAFKDRMAPK14
SCHEMBL8721890 0.72 NPSR1 (0.57) MAPTKDM4EBRAFKDRMAPK14
SCHEMBL8720496 0.71 ALDH1A1 (0.50) MAPTKDM4EBRAFKDRMAPK14
SCHEMBL8720486 0.70 MAPT (0.46) MAPTKDM4EBRAFKDRMAPK14
SCHEMBL4767335 0.70 L3MBTL1 (0.38) MAPTALDH1A1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL8720532 0.69 POLB (0.46) MAPTKDM4EBRAFKDRMAPK14
SCHEMBL8722832 0.69 BRAF (0.45) MAPTKDM4EBRAFKDRMAPK14
SCHEMBL4771178 0.68 RXRA (0.42) MAPTKDM4EALDH1A1CYP1A2CYP2C9

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 MAPT 4388/4885KDM4E 1056/4885BRAF 542/4885

“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.