SCHEMBL295495

SCHEMBL295495

CCN(CC)C(F)(F)c1ccccc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
THRB P10828 1/20 0.31
RAB9A P51151 1/20 0.31
NOX1 Q9Y5S8 1/20 0.31

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
SCHEMBL3739354 0.76 MAPT (0.35) ACHETSHRL3MBTL1KDM4EALDH1A1
SCHEMBL812266 0.76 CNR2 (0.38) L3MBTL1KDM4EALDH1A1HSD11B1
SCHEMBL811891 0.76 LMNA (0.43) TSHRL3MBTL1TDP1ALDH1A1GAA
SCHEMBL812200 0.73 ACHE (0.36) ACHETSHRL3MBTL1SLC6A2SLC6A4
SCHEMBL7879108 0.73 KCNN4 (0.42) ACHETSHRKDM4EALDH1A1KMT2A
SCHEMBL812047 0.72 ALDH1A1 (0.44) TSHRKDM4EALDH1A1KMT2AMEN1
SCHEMBL20318419 0.72 ACHE (0.39) ACHETSHRL3MBTL1TDP1KDM4E
SCHEMBL25881848 0.71 ACHE (0.38) ACHETSHRL3MBTL1TDP1KDM4E
SCHEMBL169124 0.71 TSHR (0.47) ACHETSHRL3MBTL1TDP1KDM4E
SCHEMBL29656610 0.71 TSHR (0.47) ACHETSHRL3MBTL1TDP1KDM4E

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157078-B1 Fluorine compound and fluorinating agent comprising the compound MITSUBISHI GAS CHEMICAL CO (JP) 2012-03-14 EP claimed
EP-1422216-B1 FLUORINE COMPOUND AND FLUORINATING AGENT COMPRISING THE COMPOUND MITSUBISHI GAS CHEMICAL CO (JP) 2009-01-07 EP claimed
US-7297821-B2 Fluorine compound and fluorinating agent comprising the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-11-20 US claimed
US-8063205-B2 Method for producing 2-oxazoline analogue or 1,3-oxazine analogue NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2011-11-22 US disclosed
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
US-7829741-B2 Process for producing α, α-difluoroamine NATIONAL UNIVERSITY CORPORATION (JP) 2010-11-09 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-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-11-12 US disclosed
US-20090177012-A1 PROCESS FOR PRODUCING ALPHA, ALPHA-DIFLUOROAMINE NATIONAL UNIVERSITY CORPORATION, HOKKAIDO UNIVERSITY (JP) 2009-07-09 US disclosed
US-7307185-B2 Process for producing optically active fluorochemical MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-12-11 US disclosed
US-20070191631-A1 Process for producing optically active fluorochemical MITSUBISHI GAS CHEMICAL COMPANY (JP) 2007-08-16 US disclosed
EP-1813596-A1 PROCESS FOR PRODUCING ALPHA, ALPHA- DIFLUOROAMINE National University Corporation Hokkaido University (JP) 2007-08-01 EP disclosed
EP-1721885-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE FLUOROCHEMICAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-11-15 EP disclosed
US-20060089513-A1 Fluorine compound and fluorinating agent comprising the compound HIDAKA TOSHIO 2006-04-27 US disclosed
US-7019173-B2 Fluorine compound and fluorinating agent comprising the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-03-28 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
US-20040073065-A1 Fluorine compound and fluorinating agent comprising the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-04-15 US 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 (6 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-20070191631-A1 Process for producing optically active fluorochemical PFAS, CYP4F3, CYP3A43 ACHE 17/4885TSHR 2000/4885L3MBTL1 4674/4885
US-20060089513-A1 Fluorine compound and fluorinating agent comprising the compound AFF1, AFF2, RER1 ACHE 628/4885TSHR 710/4885L3MBTL1 4406/4885
US-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE OXA1L, SULT1A1, DAO ACHE 3232/4885TSHR 1049/4885L3MBTL1 1149/4885
US-20040073065-A1 Fluorine compound and fluorinating agent comprising the compound AFF1, RER1, AFF2 ACHE 1008/4885TSHR 1067/4885L3MBTL1 4588/4885
US-20060014972-A1 Method of fluorination FUCA2, FABP2, FGB ACHE 3090/4885TSHR 2253/4885L3MBTL1 4436/4885
US-20090177012-A1 PROCESS FOR PRODUCING ALPHA, ALPHA-DIFLUOROAMINE FUCA1, FUCA2, DBH ACHE 613/4885TSHR 452/4885L3MBTL1 1921/4885

“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.