SCHEMBL6803922

SCHEMBL6803922

FC(F)=C(F)CCSc1ncc(Cl)o1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL22583889 0.79 KDM4E (0.42) KDM4EPOLBLMNAALDH1A1
SCHEMBL22584034 0.77 KDM4E (0.40) KDM4EPOLBLMNAALDH1A1
SCHEMBL22583795 0.77 KDM4E (0.40) KDM4EPOLBLMNAALDH1A1
SCHEMBL6800647 0.75 KDM4E (0.38) KDM4EPOLBLMNAALDH1A1
SCHEMBL22584020 0.72 KDM4E (0.34) KDM4EPOLBLMNAALDH1A1
SCHEMBL22583997 0.72 KDM4E (0.34) KDM4EPOLBLMNAALDH1A1
SCHEMBL22583819 0.71 KDM4E (0.35) KDM4EPOLBLMNAALDH1A1
SCHEMBL22583805 0.71 KDM4E (0.35) KDM4EPOLBLMNAALDH1A1
SCHEMBL22583811 0.71 KDM4E (0.35) KDM4EPOLBLMNAALDH1A1
SCHEMBL22577297 0.71 KDM4E (0.35) KDM4EPOLBLMNAALDH1A1

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
US-6743814-B2 REACTING 4-BROMO-1,1,2-TRIFLUORO-1-BUTENE WITH 2-MERCAPTO-OXAZOLE NIHON BAYER AGROCHEM K.K. (JP) 2004-06-01 US disclosed
US-20030109563-A1 Combating nematodes characterized in that trifluorobutenes of the formula (I) are allowed to act on nematodes and/or their habitat. NIHON BAYER AGROCHIM K.K. (JP) 2003-06-12 US disclosed
EP-1263744-A1 NEMATICIDAL TRIFLUOROBUTENES NIHON BAYER AGROCHEM K.K. (JP) 2002-12-11 EP disclosed
WO-2001066529-A1 NEMATICIDAL TRIFLUOROBUTENES NIHON BAYER AGROCHEM K.K. (DE) 2001-09-13 WO 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-20030109563-A1 Combating nematodes characterized in that trifluorobutenes of the formula (I) are allowed to act on nematodes and/or their habitat. NAT1, CNR1, CTRL KDM4E 2433/4885POLB 2395/4885LMNA 2232/4885

“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.