SCHEMBL6801617

SCHEMBL6801617

COCc1coc(SCCC(F)=C(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 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
SCHEMBL6800505 0.84 POLB (0.38) KDM4EPOLBALDH1A1LMNA
SCHEMBL6807527 0.82 KDM4E (0.39) KDM4EPOLBALDH1A1LMNA
SCHEMBL6807254 0.82 POLB (0.39) KDM4EPOLBALDH1A1LMNA
SCHEMBL6802526 0.78 KDM4E (0.40) KDM4EPOLBALDH1A1LMNA
SCHEMBL6798605 0.78 KDM4E (0.35) KDM4EPOLBALDH1A1LMNA
SCHEMBL6803468 0.75 KDM4E (0.40) KDM4EPOLBALDH1A1LMNA
SCHEMBL6800647 0.72 KDM4E (0.38) KDM4EPOLBALDH1A1LMNA
SCHEMBL6802436 0.72 POLB (0.36) KDM4EPOLBALDH1A1LMNA
SCHEMBL9632568 0.65 KDM4E (0.41) KDM4EPOLBALDH1A1LMNA
SCHEMBL6796181 0.65 POLB (0.48) KDM4EPOLBALDH1A1LMNA

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 2395/4885ALDH1A1 676/4885

“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.