SCHEMBL6796181

SCHEMBL6796181

FC(F)=C(F)CCSc1ncco1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7018621 0.75
SCHEMBL9632568 0.72 KDM4E (0.41) POLBLMNAKDM4EALDH1A1
SCHEMBL12396067 0.72
SCHEMBL8751989 0.71 KDM4E (0.50) POLBLMNAKDM4EALDH1A1
SCHEMBL6802526 0.70 KDM4E (0.40) POLBLMNAKDM4EALDH1A1
SCHEMBL6803468 0.70 KDM4E (0.40) POLBLMNAKDM4EALDH1A1
SCHEMBL6803922 0.70 KDM4E (0.43) POLBLMNAKDM4EALDH1A1
SCHEMBL11229166 0.69 DDAH1 (0.31)
SCHEMBL18660157 0.69 SMN1; SMN2 (0.41) KDM4EALDH1A1
SCHEMBL6807527 0.69 KDM4E (0.39) POLBLMNAKDM4EALDH1A1

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 5 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
WO-2003006442-A1 NOVEL PREPARATION PROCESS OF 1,3-OXAZOLE-2-THIOL BAYER CROPSCIENCE AG (DE) 2003-01-23 WO 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 POLB 2395/4885LMNA 2232/4885KDM4E 2433/4885

“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.