SCHEMBL3093135

SCHEMBL3093135

CCc1[c]ccc(OC(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 5/20 0.37
TSHR P16473 1/20 0.34
PDE2A O00408 1/20 0.34
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KIF11 P52732 1/20 0.33
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
POLB P06746 1/20 0.32
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32

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
SCHEMBL27575515 0.82 GPR3 (0.37) GPR3LMNAKIF11
SCHEMBL27969355 0.82 GPR3 (0.37) GPR3TSHRLMNAKIF11
SCHEMBL28035616 0.82 GPR3 (0.37) GPR3KIF11
SCHEMBL457740 0.77 CA1 (0.35) TSHR
SCHEMBL509528 0.77 PTGS1 (0.35) GPR3TSHRPDE2ALMNANOS3
SCHEMBL15352618 0.76 L3MBTL1 (0.40) GPR3TSHRPDE2ALMNACHRM2
SCHEMBL7768230 0.76 NQO1 (0.44) TSHRLMNA
SCHEMBL538958 0.76 GPR3 (0.41) GPR3PDE2ALMNACHRM2CHRM1
SCHEMBL407346 0.73 GPR3 (0.41) GPR3PDE2ALMNACHRM2CHRM1
SCHEMBL622940 0.73 GPR3 (0.41) GPR3PDE2ALMNAKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
US-10077254-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-09-18 US disclosed
EP-3059233-B1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME SUMITOMO CHEMICAL CO (JP) 2017-12-20 EP disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-20160272622-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-22 US disclosed
EP-3059233-A1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Limited (JP) 2016-08-24 EP disclosed
EP-2841429-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-19 US disclosed
WO-2013162072-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
US-7799947-B2 In vivo imaging compounds HAMMERSMITH IMANET LIMITED (GB) 2010-09-21 US disclosed
US-20090155168-A1 IN VIVO IMAGING COMPOUNDS GE HEALTHCARE LIMITED (GB) 2009-06-18 US disclosed
EP-1954259-A2 AMIDINE DERIVATIVES FOR IN VIVO IMAGING Hammersmith Imanet, Ltd (GB) 2008-08-13 EP disclosed
WO-2007063286-A2 AMIDINE DERIVATIVES FOR IN VIVO IMAGING HAMMERSMITH IMANET LIMITED (GB) 2007-06-07 WO disclosed
US-6576637-B1 Such as 3-(4-methyl-3-nitrophenyl)-3-(2-(4-(pyridin-2-yl-amino)butyryl amino)acetylamino)propionic acid; thrombosis, heart infarct, coronary heart diseases, arteriosclerosis, inflammations, MERCK PATENT GMBH (DE) 2003-06-10 US disclosed
EP-1153014-A2 BETA-ALANINE DERIVATIVES MERCK PATENT GmbH (DE) 2001-11-14 EP disclosed
WO-2000048996-A2 β-ALANINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-08-24 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 (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-10077254-B2 Tetrazolinone compound and use thereof MT-CO1, UQCRB, MT-CO2 GPR3 1847/4885TSHR 376/4885PDE2A 4324/4885
US-20090155168-A1 IN VIVO IMAGING COMPOUNDS GRIN1, GRIN2B, GRIN3B GPR3 55/4885TSHR 2466/4885PDE2A 2128/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 GPR3 287/4885TSHR 33/4885PDE2A 3799/4885
US-20160272622-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MT-CO1, UQCRB, MT-CO2 GPR3 1847/4885TSHR 376/4885PDE2A 4324/4885

“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.