SCHEMBL3689772

SCHEMBL3689772

CCCC(COc1c(Cl)cc(Cl)cc1Cl)NC(=O)c1ncc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TAS1R3 Q7RTX0 12/20 0.36
TAS1R1 Q7RTX1 12/20 0.36
AHR P35869 1/20 0.36
HSPA5 P11021 1/20 0.35
KMT2A Q03164 1/20 0.33
FPR2 P25090 1/20 0.33
ACACB O00763 1/20 0.33
DRD2 P14416 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
SCHEMBL675217 0.75 AHR (0.53) AHR
SCHEMBL1279332 0.72 AHR (0.37) CNR1CNR2TAS1R3TAS1R1AHR
SCHEMBL7664804 0.70 TSHR (0.35) CNR1CNR2TAS1R3TAS1R1AHR
SCHEMBL5082576 0.70 AHR (0.57) AHRKMT2A
SCHEMBL9421203 0.68 AHR (0.41) AHRKMT2A
SCHEMBL12724861 0.68 HSPA5 (0.53) HSPA5KMT2AFPR2
SCHEMBL8890777 0.66 HSPA5 (0.49) HSPA5KMT2AFPR2
SCHEMBL8890772 0.66 HSPA5 (0.49) HSPA5KMT2AFPR2
SCHEMBL13062490 0.65 PRMT5 (0.51) CNR2HSPA5KMT2AFPR2
SCHEMBL7888129 0.64 AHR (0.45) AHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1889029-A1 METHOD FOR DETERMINING RESIDUES IN PLASTICS BASF AKTIENGESELLSCHAFT (DE) 2008-02-20 EP claimed
EP-1889028-A1 METHOD FOR DETERMINING PESTICIDE RESIDUES IN SOIL OR PLANT MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2008-02-20 EP claimed
WO-2006125647-A1 METHOD FOR DETERMINING RESIDUES IN PLASTICS BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO claimed
WO-2006125644-A1 METHOD FOR DETERMINING PESTICIDE RESIDUES IN SOIL OR PLANT MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO claimed
US-4767774-A Synergistic fungicidal composition employing substituted carboxamidothiazoles and imidazoles UNIROYAL CHEMICAL LIMITED (GB) 1988-08-30 US claimed
US-9028856-B2 Synergistic pesticide compositions BAYER CROPSCIENCE LP (US) 2015-05-12 US disclosed
US-20130217574-A1 SYNERGISTIC PESTICIDE COMPOSITIONS BAYER CROPSCIENCE LP (US) 2013-08-22 US disclosed
US-20130183390-A1 SYNERGISTIC PESTICIDE COMPOSITIONS BAYER CROPSCIENCE LP (US) 2013-07-18 US disclosed
US-8404260-B2 Synergistic pesticide compositions BAYER CROPSCIENCE LP (US) 2013-03-26 US disclosed
US-20100247684-A1 SYNERGISTIC PESTICIDE COMPOSITIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-09-30 US disclosed
US-20080202259-A1 Method For Determining Pesticide Residues in Soil or Plant Material BASF AKTIENGESELLSCHAFT (DE) 2008-08-28 US disclosed
US-20080192251-A1 Method For Determining Residues in Plastics BASF AKTIENGESELLSCHAFT (DE) 2008-08-14 US disclosed
US-5223523-A Agriculture E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-29 US disclosed
WO-1992002491-A1 NOVEL BIS-(HYDROXIMIDOYL CHLORIDE) DERIVATIVES AS AGRICULTURAL FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-02-20 WO disclosed
EP-0470177-A1 FUNGICIDAL OXIME CARBAMATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-02-12 EP disclosed
WO-1991016299-A1 FUNGICIDAL OXIME CARBAMATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-31 WO disclosed
WO-1991015480-A1 FUNGICIDAL OXAZOLIDINONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-17 WO disclosed
EP-0397345-A1 Fungicidal oxime carbamates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-11-14 EP disclosed
WO-1990012784-A1 FUNGICIDAL OXIME CARBAMATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-11-01 WO disclosed
US-4767774-A Synergistic fungicidal composition employing substituted carboxamidothiazoles and imidazoles UNIROYAL CHEMICAL LIMITED (GB) 1988-08-30 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 (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-20100247684-A1 SYNERGISTIC PESTICIDE COMPOSITIONS DDT, ACHE, CHRM3 CNR1 748/4885CNR2 430/4885TAS1R3 3369/4885
US-20130217574-A1 SYNERGISTIC PESTICIDE COMPOSITIONS DDT, ACHE, CHRM3 CNR1 748/4885CNR2 430/4885TAS1R3 3369/4885
US-20130183390-A1 SYNERGISTIC PESTICIDE COMPOSITIONS DDT, ACHE, CHRM3 CNR1 748/4885CNR2 430/4885TAS1R3 3369/4885

“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.