SCHEMBL5605898

SCHEMBL5605898

O=C(F)c1ccc(F)cc1F

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.71
CES1 P23141 3/20 0.71
L3MBTL1 Q9Y468 1/20 0.47
SNCA P37840 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.42
KEAP1 Q14145 1/20 0.42
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL13291390 0.83 CES2 (0.74) CES2CES1L3MBTL1SNCANPC1
SCHEMBL8070666 0.83 CES2 (1.00) CES2CES1L3MBTL1SNCANPC1
SCHEMBL366061 0.81 CES2 (0.71) CES2CES1L3MBTL1SNCANPC1
SCHEMBL7612594 0.81 CES2 (0.71) CES2CES1L3MBTL1SNCANPC1
SCHEMBL10703902 0.81 CES2 (0.71) CES2CES1KEAP1
SCHEMBL293958 0.79 CES2 (0.68) CES2CES1L3MBTL1KEAP1HTT
SCHEMBL10701917 0.79 CES2 (0.46) CES2CES1SNCARAB9AHTT
SCHEMBL12511048 0.79 CES2 (0.68) CES2CES1L3MBTL1SNCANPC1
SCHEMBL11570 0.79 CES2 (0.68) CES2CES1L3MBTL1SNCAHTT
SCHEMBL4962246 0.79 CES2 (0.68) CES2CES1L3MBTL1SNCANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100357246-C Preparation of 2,4,6-trichloromethane acid LUYUAN PHARMACEUTICAL CO LTD (CN) 2007-12-26 CN disclosed
US-7247733-B2 By halogen exchange reaction using specific guanidinium, phosphonium or sulfonium catalysts, e.g., diethylaminobis[tris(diethylamino)phosphazenyl]-sulfonium bromide, diethylaminobis(tetramethyl-guanidino)sulfonium bromide and (N,N-dimethylimidazolidino)tetramethyl-guanidinium chloride LANXESS DEUTSCHLAND GMBH (DE) 2007-07-24 US disclosed
EP-1266904-B1 Improved process for preparing fluorinated aromatic compounds SALTIGO GMBH (DE) 2006-09-13 EP disclosed
US-7091362-B2 Heating aromatic compound substituted with halogen that is exchangeable for fluorine with fluoride and compound such as Diethylaminobis(tetramethylguanidino)sulfonium bromide to produce fluorinated aromatics BAYER AKTIENGESELLSCHAFT (DE) 2006-08-15 US disclosed
CN-1746147-A Preparation of 2,4,6-trichloromethane acid LUYUAN PHARMACEUTICAL CO LTD D (CN) 2006-03-15 CN disclosed
US-20050228201-A1 By halogen exchange reaction using specific guanidinium, phosphonium or sulfonium catalysts, e.g., diethylaminobis[tris(diethylamino)phosphazenyl]-sulfonium bromide, diethylaminobis(tetramethyl-guanidino)sulfonium bromide and (N,N-dimethylimidazolidino)tetramethyl-guanidinium chloride HENRICH MARIELOUISE 2005-10-13 US disclosed
US-20030036667-A1 Heating aromatic compound substituted with halogen that is exchangeable for fluorine with fluoride and compound such as Diethylaminobis(tetramethylguanidino)sulfonium bromide to produce fluorinated aromatics LANXESS DEUTSCHLAND GMBH (DE) 2003-02-20 US disclosed
EP-1266904-A1 Improved process for preparing fluorinated aromatic compounds BAYER AG (DE) 2002-12-18 EP disclosed
EP-0693466-B1 Process for the preparation of aromatic fluorinated compounds and diamides BAYER AG (DE) 2001-10-17 EP disclosed
US-5672765-A Process for the preparation of aromatic fluorinated compounds and novel diamides BAYER AKTIENGESELLSCHAFT (DE) 1997-09-30 US disclosed
EP-0693466-A1 Process for the preparation of aromatic fluorinated compounds and diamides BAYER AG (DE) 1996-01-24 EP disclosed
US-5457104-A Antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1995-10-10 US disclosed
EP-0270964-B1 PROCESS FOR OBTAINING SUBSTITUTED FLUOROBENZENES BAYER AG (DE) 1992-07-08 EP disclosed
US-4868347-A SOLVENT EXTRACTION BAYER AKTIENGESELLSCHAFT (DE) 1989-09-19 US disclosed
US-4847442-A Process for the preparation of difluorobenzenes ALLIED-SIGNAL INC. (US) 1989-07-11 US disclosed
EP-0293747-A2 Process for the preparation of fluoride-substituted carboxylic-acid chlorides BASF Aktiengesellschaft (DE) 1988-12-07 EP disclosed
US-4420433-A REACTION WITH SILICON TETRACHLORIDE OR TITANIUM TETRACHLORIDE BAYER AKTIENGESELLSCHAFT (DE) 1983-12-13 US disclosed
EP-0071065-A1 Process for the preparation of fluorine-substituted carboxylic-acid chlorides and aldehydes BAYER AG (DE) 1983-02-09 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 (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-20030036667-A1 Heating aromatic compound substituted with halogen that is exchangeable for fluorine with fluoride and compound such as Diethylaminobis(tetramethylguanidino)sulfonium bromide to produce fluorinated aromatics AFF1, FLI1, AFF2 CES2 2677/4885CES1 3272/4885L3MBTL1 3582/4885
US-20050228201-A1 By halogen exchange reaction using specific guanidinium, phosphonium or sulfonium catalysts, e.g., diethylaminobis[tris(diethylamino)phosphazenyl]-sulfonium bromide, diethylaminobis(tetramethyl-guanidino)sulfonium bromide and (N,N-dimethylimidazolidino)tetramethyl-guanidinium chloride PFAS, GDI2, EWSR1 CES2 830/4885CES1 2641/4885L3MBTL1 3167/4885

“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.