SCHEMBL812199

SCHEMBL812199

Cc1cccc(C(F)(F)N(C(C)C)C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.39
PTPN5 P54829 1/20 0.38
CETP P11597 1/20 0.36
KIF11 P52732 5/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
KCNH2 Q12809 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NFE2L2 Q16236 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL3223142 0.78 ALDH1A1 (0.44) KIF11CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL295494 0.74 LMNA (0.40) ACHEPTPN5CETPKIF11CYP3A4
SCHEMBL822098 0.73 ACHE (0.52) ACHEPTPN5KIF11CYP3A4CYP2D6
SCHEMBL148048 0.73 NFE2L2 (0.55) ACHEPTPN5CETPKIF11HTR2A
SCHEMBL24342189 0.73 PTPN5 (0.44) ACHEPTPN5CETPKIF11CYP3A4
SCHEMBL14366432 0.73 LMNA (0.39) ACHEPTPN5CETPKIF11CYP3A4
SCHEMBL18891585 0.71 ACHE (0.50) ACHEPTPN5KIF11CYP3A4CYP2D6
Bromide SCHEMBL27462091 0.71 NFE2L2 (0.53) ACHEPTPN5CETPKIF11HTR2A
Ammonia Solution, Strong SCHEMBL1869257 0.71 NFE2L2 (0.53) ACHEPTPN5CETPKIF11HTR2A
SCHEMBL8242617 0.71 ACHE (0.50) ACHEPTPN5KIF11CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968751-B2 Method of fluorination MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-06-28 US disclosed
US-7892518-B2 fluorinating a specific position of a saccharide substrate selectively without affecting a protective group at a temperature within a wide range safely and easily with N, N-diethyl-alpha, alpha-difluoro(3-methyl)benzylamine a fluorinating agent under irradiation with microwave or electromagnetic wave MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-02-22 US disclosed
EP-2189467-A2 Method of fluorination by microwaves Mitsubishi Gas Chemical Company, Inc. (JP) 2010-05-26 EP disclosed
EP-2189466-A2 METHOD OF FLUORINATION BY MICROWAVES Mitsubishi Gas Chemical Company, Inc. (JP) 2010-05-26 EP disclosed
US-20080319228-A1 Method of fluorination HARA SHOJI 2008-12-25 US disclosed
US-20080154064-A1 Method of fluorination HARA SHOJI 2008-06-26 US disclosed
US-7351863-B2 Method of fluorination MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-04-01 US disclosed
US-20060014972-A1 Method of fluorination MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-01-19 US disclosed
EP-1568703-A1 METHOD OF FLUORINATION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-08-31 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 (3 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-20080154064-A1 Method of fluorination FUCA2, FABP2, FGB ACHE 3090/4885PTPN5 4817/4885CETP 218/4885
US-20080319228-A1 Method of fluorination FUCA2, FABP2, FGB ACHE 3090/4885PTPN5 4817/4885CETP 218/4885
US-20060014972-A1 Method of fluorination FUCA2, FABP2, FGB ACHE 3090/4885PTPN5 4817/4885CETP 218/4885

“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.