SCHEMBL5006443

SCHEMBL5006443

C=C(C(=O)OC1CCCCCCC1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.41
EPHX1 P07099 2/20 0.40
CYP2C19 P33261 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
NAAA Q02083 2/20 0.35
CYP19A1 P11511 3/20 0.34
HTT P42858 2/20 0.34
BCHE P06276 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32

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
SCHEMBL5009154 1.00 GPR35 (0.41) GPR35EPHX1CYP2C19CA12CA1
SCHEMBL6104825 0.98 GPR35 (0.40) GPR35EPHX1CYP2C19CA12CA1
SCHEMBL6316283 0.83 GPR35 (0.34) GPR35
SCHEMBL28453292 0.82 EPHX1 (0.41) GPR35EPHX1CYP2C19CA12CA1
SCHEMBL13888379 0.81 GPR35 (0.33) GPR35
SCHEMBL2719080 0.81 GPR35 (0.31) GPR35
SCHEMBL375167 0.81 EPHX1 (0.42) GPR35EPHX1CYP2C19CA12CA1
SCHEMBL21123289 0.80 GPR35 (0.31) GPR35
SCHEMBL25172279 0.79 MAPT (0.43) GPR35EPHX1CYP19A1HTTNPC1
SCHEMBL23005764 0.78 EPHX1 (0.44) GPR35EPHX1CYP2C19CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637514-B1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACRYLATE TOSOH F TECH INC (JP) 2014-05-07 EP disclosed
EP-1637514-B1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACRYLATE TOSOH F TECH INC (JP) 2014-05-07 EP disclosed
US-7470808-B2 Method for producing fluorine-containing acrylate TOSOH F-TECH, INC. (JP) 2008-12-30 US disclosed
US-7470808-B2 Method for producing fluorine-containing acrylate TOSOH F-TECH, INC. (JP) 2008-12-30 US disclosed
US-7470808-B2 Method for producing fluorine-containing acrylate TOSOH F-TECH, INC. (JP) 2008-12-30 US disclosed
US-20060122423-A1 Method for producing fluorine-containing acrylate SAGAMI CHEMICAL RESEARCH CENTER (JP) 2006-06-08 US disclosed
EP-1637514-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING ACRYLATE Tosoh F-Tech, Inc. (JP) 2006-03-22 EP 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-20060122423-A1 Method for producing fluorine-containing acrylate AFF4, CBR1, AFF1 GPR35 2657/4885EPHX1 1064/4885CYP2C19 319/4885

“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.