SCHEMBL4600736

SCHEMBL4600736

FC(F)(F)Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.41
CES2 O00748 1/20 0.41
SOD1 P00441 1/20 0.39
GPR3 P46089 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
SERPINE1 P05121 1/20 0.38
TDO2 P48775 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
KIF11 P52732 2/20 0.34
KDM4E B2RXH2 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL13180039 0.84 RAPGEF4 (0.39) GPR3TRPV1SERPINE1FFAR4
SCHEMBL16729557 0.84 NOTUM (0.47) IDO1GPR3TRPV1SERPINE1TDO2
SCHEMBL6846413 0.84 ALDH1A1 (0.44) IDO1GPR3TRPV1TDO2FFAR4
SCHEMBL12408677 0.81 IDO1 (0.41) IDO1SERPINE1FFAR4
SCHEMBL13019323 0.80 IDO1 (0.39) IDO1CES2SOD1GPR84MAPT
SCHEMBL21513949 0.80 GABRA1 (0.42) GPR3TRPV1SERPINE1FFAR4KIF11
SCHEMBL16729381 0.80 PRKCA (0.43) IDO1TRPV1SERPINE1FFAR4
SCHEMBL13144931 0.80 ALDH1A1 (0.39) IDO1GPR3TRPV1TDO2FFAR4
SCHEMBL22546679 0.80 FFAR4 (0.32) GPR3TRPV1FFAR4KIF11
SCHEMBL11683244 0.78 IDO1 (0.38) IDO1CES2SOD1TRPV1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1489064-B1 Preparation of fluorinated acetophenones SALTIGO GMBH (DE) 2008-04-16 EP disclosed
US-7148384-B2 Preparation of fluorinated acetophenones BAYER AKTIENGESELLSCHAFT (DE) 2006-12-12 US disclosed
US-20050043559-A1 Preparation of fluorinated acetophenones LANXESS DEUTSCHLAND GMBH (DE) 2005-02-24 US disclosed
EP-1489064-A1 Preparation of fluorinated acetophenones Bayer Chemicals AG (DE) 2004-12-22 EP disclosed
US-5484932-A Halogenation processes in advantageous solvents, and novel bistrifluoromethyl-polyfluoroalkoxybenzenes BAYER AKTIENGESELLSCHAFT (DE) 1996-01-16 US disclosed
EP-0567847-A1 Halogenation process in advantageous solvents BAYER AG (DE) 1993-11-03 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-20050043559-A1 Preparation of fluorinated acetophenones GNPAT, HNF4A, FAH IDO1 3600/4885CES2 1911/4885SOD1 4291/4885

“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.