SCHEMBL16202068

SCHEMBL16202068

CCC/C(=N\OC)c1ccc(C)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.49
DRD2 P14416 2/20 0.49
GSK3B P49841 1/20 0.44
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CA2 P00918 1/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
GAA P10253 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL16202070 0.86 GSK3B (0.46) DRD4DRD2GSK3BPPARGPPARA
SCHEMBL16202067 0.79 GSK3B (0.39) DRD4DRD2GSK3BCA2KDM4E
SCHEMBL5461219 0.79 ATM (0.48) DRD4DRD2GSK3BPPARAKDM4E
SCHEMBL5461220 0.79 ATM (0.48) DRD4DRD2GSK3BPPARAKDM4E
SCHEMBL17216550 0.78 CA2 (0.47) DRD4DRD2GSK3BCA2GAA
SCHEMBL15851035 0.78 CA2 (0.47) DRD4DRD2GSK3BCA2GAA
SCHEMBL5463436 0.77 GSK3B (0.44) DRD4DRD2GSK3BCA2KDM4E
SCHEMBL5463441 0.77 GSK3B (0.44) DRD4DRD2GSK3BCA2KDM4E
SCHEMBL5958031 0.76 GSK3B (0.42) DRD4DRD2GSK3BCA2KDM4E
SCHEMBL5958028 0.76 GSK3B (0.42) DRD4DRD2GSK3BCA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2016-09-01 US disclosed
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-26 US disclosed
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi BASF SE (DE) 2016-05-26 US disclosed
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-05 US disclosed
US-9271501-B2 Use of strobilurin type compounds for combating phytopathogenic fungi resistant to QO inhibitors BASF SE (DE) 2016-03-01 US disclosed
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2014-10-30 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 (5 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-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 DRD4 2236/4885DRD2 1932/4885GSK3B 3105/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 DRD4 1620/4885DRD2 1238/4885GSK3B 2252/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 DRD4 1620/4885DRD2 1238/4885GSK3B 2252/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB DRD4 3836/4885DRD2 3156/4885GSK3B 1990/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB DRD4 3836/4885DRD2 3156/4885GSK3B 1990/4885

“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.