SCHEMBL3484598

SCHEMBL3484598

FC(F)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.50
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.44
EPHX2 P34913 1/20 0.44
SCN5A Q14524 1/20 0.42
GPR3 P46089 1/20 0.41
SLC7A5 Q01650 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KIF11 P52732 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
MAOB P27338 1/20 0.37
AOC3 Q16853 1/20 0.37

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
SCHEMBL254957 0.82 MAPT (0.56) PDE2AALDH1A1MAPTEPHX2GPR3
SCHEMBL646645 0.79 PDE2A (0.49) PDE2AALDH1A1MAPTEPHX2GPR3
SCHEMBL2056155 0.79 PDE2A (0.58) PDE2AALDH1A1MAPTEPHX2L3MBTL1
SCHEMBL11215946 0.79 PDE2A (0.49) PDE2AALDH1A1MAPTEPHX2GPR3
SCHEMBL24017106 0.79 PDE2A (0.49) PDE2AALDH1A1MAPTEPHX2GPR3
SCHEMBL24017149 0.79 PDE2A (0.49) PDE2AALDH1A1MAPTEPHX2GPR3
SCHEMBL646362 0.79 TOP2A (0.49) PDE2AALDH1A1MAPTEPHX2GPR3
SCHEMBL16771224 0.79 PDE2A (0.49) PDE2AALDH1A1MAPTEPHX2GPR3
SCHEMBL22326116 0.79 ESR1 (0.54) PDE2AALDH1A1MAPTEPHX2GPR3
SCHEMBL29118208 0.79 PDE2A (0.49) PDE2AALDH1A1MAPTEPHX2GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
EP-1940769-B1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER IP GMBH (DE) 2016-08-10 EP disclosed
EP-1940769-B1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER IP GMBH (DE) 2016-08-10 EP disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
US-8609727-B2 Dicarboxylic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-17 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
CN-101346338-A Dicarboxylic acid derivatives and their use BAYER HEALTHCARE AG (DE) 2009-01-14 CN disclosed
EP-1940769-A1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE Bayer HealthCare AG (DE) 2008-07-09 EP disclosed
WO-2007045433-A1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-04-26 WO disclosed
WO-2007045433-A1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-04-26 WO 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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 PDE2A 2257/4885ALDH1A1 3053/4885MAPT 2614/4885
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use PC, SLC25A1, GOT2 PDE2A 2187/4885ALDH1A1 468/4885MAPT 2840/4885

“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.