SCHEMBL921406

SCHEMBL921406

Cc1ccccc1COc1cc[c]c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.46
CCND1 P24385 2/20 0.46
ACHE P22303 1/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
MAOB P27338 1/20 0.46
SLC26A4 O43511 1/20 0.42
KMT2A Q03164 1/20 0.40
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
FFAR1 O14842 2/20 0.38
ALOX5 P09917 1/20 0.37
ALOX5AP P20292 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL921994 0.84 MAOB (0.50) MAOBKDM4EPARP15PARP10
SCHEMBL921217 0.82 PARP10 (0.53) MAOBKMT2AHTR1AADRA1DADRA1A
SCHEMBL920923 0.82 NR4A2 (0.49) MAOBSLC26A4KMT2A
SCHEMBL920795 0.78 MAOB (0.46) MAOBKMT2AFFAR1KDM4ESPHK2
SCHEMBL920621 0.78 ALOX5 (0.51) MAOBKMT2AALOX5
SCHEMBL920482 0.77 MAOB (0.57) CDK4CCND1ACHECCNB2CDK1
SCHEMBL920605 0.75 MAOB (0.51) ACHEMAOBPARP10
SCHEMBL920443 0.75 MAOB (0.57) ACHEMAOB
SCHEMBL458361 0.73 NQO1 (0.44) KMT2AKDM4E
SCHEMBL920832 0.73 AR (0.43) ACHEKMT2AFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 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 (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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 CDK4 4097/4885CCND1 4265/4885ACHE 3081/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 CDK4 1369/4885CCND1 725/4885ACHE 4121/4885

“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.