SCHEMBL18288192

SCHEMBL18288192

F/C=C(/F)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA9 Q16790 3/20 0.41
CA2 P00918 2/20 0.41
MGLL Q99685 3/20 0.39
PDK1 Q15118 2/20 0.39
PDK2 Q15119 2/20 0.39
PDK3 Q15120 2/20 0.39
FAAH O00519 2/20 0.39
PHGDH O43175 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALDH2 P05091 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL18288374 1.00 CA12 (0.41) CA12CA1CA9CA2MGLL
SCHEMBL22135147 0.80 SMN1; SMN2 (0.44) CA12CA1CA9CA2MGLL
SCHEMBL19016204 0.80 SMN1; SMN2 (0.44) CA12CA1CA9CA2MGLL
SCHEMBL22135146 0.78 CA12 (0.39) CA12CA1CA9CA2MGLL
SCHEMBL22135133 0.78 CA12 (0.39) CA12CA1CA9CA2MGLL
SCHEMBL19016210 0.78 CA12 (0.43) CA12CA1CA9CA2MGLL
SCHEMBL20319196 0.77 CA12 (0.42) CA12CA1CA9CA2MGLL
SCHEMBL18288191 0.76
SCHEMBL18288343 0.75 CA12 (0.37) CA12CA1CA9CA2MGLL
SCHEMBL19343687 0.74 ALDH1A1 (0.38) CA12CA1CA9CA2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3303435-B1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME 3M INNOVATIVE PROPERTIES CO (US) 2020-11-25 EP disclosed
EP-3390464-B1 AQUEOUS DISPERSIONS OF AMINE-CONTAINING FLUORINATED POLYMERS AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES CO (US) 2020-10-21 EP disclosed
US-10738001-B2 Hydrofluoroolefins and methods of using same 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-08-11 US disclosed
US-10344006-B2 Amine-containing acyclic hydrofluoroethers and methods of using the same 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-07-09 US disclosed
US-10301293-B2 Amine-containing cyclic hydrofluoroethers and methods of using the same 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-05-28 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
US-20190031646-A1 AMINE-CONTAINING CYCLIC HYDROFLUOROETHERS AND METHODS OF USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY 2019-01-31 US disclosed
US-20180141893-A1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-05-24 US disclosed
US-20180141893-A1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-05-24 US disclosed
WO-2017155686-A1 AMINE-CONTAINING ACYCLIC HYDROFLUOROETHERS AND METHODS OF USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-09-14 WO disclosed
WO-2017155735-A1 AMINE-CONTAINING CYCLIC HYDROFLUOROETHERS AND METHODS OF USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-09-14 WO disclosed
WO-2016196240-A1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-12-08 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 (6 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-10301293-B2 Amine-containing cyclic hydrofluoroethers and methods of using the same AFF2, AFF1, AFF4 CA12 729/4885CA1 765/4885CA9 801/4885
US-20180141893-A1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME RFC3, RFC2, RFC1 CA12 1746/4885CA1 2229/4885CA9 3510/4885
US-10344006-B2 Amine-containing acyclic hydrofluoroethers and methods of using the same AFF1, AFF2, FANCF CA12 718/4885CA1 193/4885CA9 1277/4885
US-10738001-B2 Hydrofluoroolefins and methods of using same RFC3, RFC2, RFC1 CA12 1746/4885CA1 2229/4885CA9 3510/4885
US-20190040024-A1 AMINE-CONTAINING ACYCLIC HYDROFLUOROETHERS AND METHODS OF USING THE SAME AFF1, AFF2, FANCF CA12 718/4885CA1 193/4885CA9 1277/4885
US-20190031646-A1 AMINE-CONTAINING CYCLIC HYDROFLUOROETHERS AND METHODS OF USING THE SAME AFF2, AFF1, AFF4 CA12 729/4885CA1 765/4885CA9 801/4885

“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.