SCHEMBL812665

SCHEMBL812665

CCN(CC)C(F)(F)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
MLYCD O95822 1/20 0.36
ACHE P22303 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
KCNH2 Q12809 2/20 0.34
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
BCHE P06276 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RORC P51449 1/20 0.32
KIF11 P52732 3/20 0.32
DHFR P00374 1/20 0.32
HTR2A P28223 1/20 0.31
SLC6A4 P31645 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
SCHEMBL3213108 0.81 MEN1 (0.40) TSHRKCNH2NPSR1
SCHEMBL812047 0.80 ALDH1A1 (0.44) TSHRCA1CA2CA5ACA9
SCHEMBL812265 0.78 KIF11 (0.52) MAPTNPC1RAB9AKIF11
SCHEMBL1338196 0.78 CA12 (0.42) CA1CA2CA9ACHETDP1
SCHEMBL295494 0.76 LMNA (0.40) ACHETDP1KCNH2MAPTRAB9A
SCHEMBL8354614 0.76 TSHR (0.48) TSHRCA1CA2CA5ACA9
SCHEMBL19426802 0.70 TSHR (0.46) TSHRCA1CA2CA5ACA9
SCHEMBL1337626 0.70 PTPN1 (0.41) TDP1KCNH2MAPTSLC6A4
SCHEMBL10060117 0.68 TSHR (0.50) TSHRCA1CA2CA5ACA9
SCHEMBL1338732 0.68 HPGD (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20080319228-A1 Method of fluorination HARA SHOJI 2008-12-25 US disclosed
EP-1956012-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE National University Corporation Hokkaido University (JP) 2008-08-13 EP 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 (4 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 TSHR 2253/4885CA1 315/4885CA2 1904/4885
US-20080319228-A1 Method of fluorination FUCA2, FABP2, FGB TSHR 2253/4885CA1 315/4885CA2 1904/4885
US-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE OXA1L, SULT1A1, DAO TSHR 1049/4885CA1 1882/4885CA2 2307/4885
US-20060014972-A1 Method of fluorination FUCA2, FABP2, FGB TSHR 2253/4885CA1 315/4885CA2 1904/4885

“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.