SCHEMBL4762178

SCHEMBL4762178

CC(CCCCOC(=O)c1ccc[n+]([O-])c1)=C(F)F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
GPR84 Q9NQS5 2/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL8728841 0.82 LMNA (0.53) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL8778093 0.81 LMNA (0.56) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL8778119 0.81 LMNA (0.56) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL9321388 0.81 LMNA (0.56) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL9172557 0.81 LMNA (0.56) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL14107746 0.77 LMNA (0.60) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL4767504 0.75 LMNA (0.66) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL4862698 0.74 GLA (0.57) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL4769270 0.74 TDP1 (0.46) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL4767563 0.71 LMNA (0.59) ALDH1A1TDP1KMT2ALMNA

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 875/4885TDP1 4027/4885L3MBTL1 17/4885

“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.