SCHEMBL812266

SCHEMBL812266

CCN(CC)C(F)(F)c1ccccc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
HSD11B1 P28845 1/20 0.37
TACR1 P25103 3/20 0.36
FFAR4 Q5NUL3 1/20 0.35
DPP4 P27487 2/20 0.35
HTR7 P34969 2/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
SLC13A5 Q86YT5 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 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
SCHEMBL295495 0.76 ACHE (0.35) HSD11B1KDM4EALDH1A1L3MBTL1
SCHEMBL812265 0.74 KIF11 (0.52) DPP4KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL812047 0.72 ALDH1A1 (0.44) KDM4EALDH1A1
SCHEMBL163729 0.72 HSD11B1 (0.55) CNR2HSD11B1FFAR4DPP4SLC13A5
SCHEMBL811891 0.71 LMNA (0.43) ALDH1A1L3MBTL1
SCHEMBL28053727 0.71 FFAR4 (0.54) CNR2HSD11B1FFAR4DPP4SLC13A5
SCHEMBL8679018 0.71 DPP4 (0.39) CNR2HSD11B1DPP4HTR7PPARG
SCHEMBL25119691 0.70 ALDH1A1 (0.46) CNR2HSD11B1FFAR4DPP4SLC13A5
Water SCHEMBL7091891 0.70 AR (0.55) CNR2HSD11B1FFAR4DPP4SLC13A5
Ethyne SCHEMBL27849625 0.70 HSD11B1 (0.53) CNR2HSD11B1FFAR4DPP4SLC13A5

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 CNR2 4069/4885HSD11B1 2886/4885TACR1 4672/4885
US-20080319228-A1 Method of fluorination FUCA2, FABP2, FGB CNR2 4069/4885HSD11B1 2886/4885TACR1 4672/4885
US-20060014972-A1 Method of fluorination FUCA2, FABP2, FGB CNR2 4069/4885HSD11B1 2886/4885TACR1 4672/4885

“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.