SCHEMBL20699746

SCHEMBL20699746

FC(=C(F)C(F)(F)F)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
CHKA P35790 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34
PKM P14618 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
ADRB1 P08588 1/20 0.31

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
SCHEMBL22693855 0.78 CA2 (0.34) CA2CA12CA1CA9CHKA
SCHEMBL17453114 0.78 MLYCD (0.35) CA2CA12CA1CA9
SCHEMBL17453117 0.76 ALDH1A1 (0.35) CA2CA12CA1CA9
SCHEMBL18942822 0.76 ALDH1A1 (0.35) CA2CA12CA1CA9
SCHEMBL19115977 0.74
SCHEMBL17453118 0.73
SCHEMBL17453112 0.73 CA12 (0.38) CA2CA12CA1CA9
SCHEMBL19114901 0.73 CA12 (0.38) CA2CA12CA1CA9
SCHEMBL18942823 0.73 CYP1A2 (0.39)
SCHEMBL19920498 0.73 CA12 (0.38) CA2CA12CA1CA9

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-10344006-B2 Amine-containing acyclic hydrofluoroethers and methods of using the same 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-07-09 US disclosed
US-20190040024-A1 AMINE-CONTAINING ACYCLIC HYDROFLUOROETHERS AND METHODS OF USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-02-07 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 (2 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-10344006-B2 Amine-containing acyclic hydrofluoroethers and methods of using the same AFF1, AFF2, FANCF CA2 1177/4885CA12 718/4885CA1 193/4885
US-20190040024-A1 AMINE-CONTAINING ACYCLIC HYDROFLUOROETHERS AND METHODS OF USING THE SAME AFF1, AFF2, FANCF CA2 1177/4885CA12 718/4885CA1 193/4885

“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.