SCHEMBL3740812

SCHEMBL3740812

N#CC1(O)CCC(OC(F)C(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL13883654 0.77 ALDH1A1 (0.36) ALDH1A1
SCHEMBL29110875 0.67
SCHEMBL3740809 0.67 ALDH1A1 (0.36) ALDH1A1
SCHEMBL3730546 0.66
SCHEMBL3740806 0.66 ALDH1A1 (0.35) ALDH1A1
SCHEMBL6291491 0.65 ALDH1A1 (0.46) ALDH1A1
SCHEMBL14808336 0.63 ALDH1A1 (0.50) ALDH1A1
SCHEMBL7671122 0.63
SCHEMBL7856132 0.59 ALDH1A1 (0.40) ALDH1A1
SCHEMBL728631 0.59 ALDH1A1 (0.40) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435549-B2 Halogen alkoxy spirocyclic tetramic and tetronic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-05-07 US disclosed
US-20100279873-A1 Halogen Alkoxy Spirocyclic Tetramic and Tetronic Acid Derivatives BAYER CROPSCIENCE AG (DE) 2010-11-04 US 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-20100279873-A1 Halogen Alkoxy Spirocyclic Tetramic and Tetronic Acid Derivatives KCNA5, KCNH1, KCNQ5 ALDH1A1 2192/4885

“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.