SCHEMBL9978370

SCHEMBL9978370

CCCCCC(CCC)=NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
AKR1B1 P15121 1/20 0.40
HSP90AA1 P07900 1/20 0.39
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
PTPN1 P18031 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL9978369 1.00 CES2 (0.42) CES2CES1AKR1B1HSP90AA1GPR84
SCHEMBL11883248 0.97 CES2 (0.44) CES2CES1HSP90AA1GPR84PPARG
SCHEMBL11878930 0.97 CES2 (0.44) CES2CES1HSP90AA1GPR84PPARG
SCHEMBL11883249 0.97 CES2 (0.44) CES2CES1HSP90AA1GPR84PPARG
SCHEMBL11881607 0.97 CES2 (0.44) CES2CES1HSP90AA1GPR84PPARG
SCHEMBL11878936 0.97 CES2 (0.44) CES2CES1HSP90AA1GPR84PPARG
SCHEMBL11881615 0.97 CES2 (0.44) CES2CES1HSP90AA1GPR84PPARG
SCHEMBL8605645 0.95 CES2 (0.46) CES2CES1AKR1B1GPR84PPARG
SCHEMBL11765183 0.92 CES2 (0.48) CES2CES1GPR84PPARGPPARD
SCHEMBL10349185 0.92 CES2 (0.43) CES2CES1AKR1B1GPR84PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2575451-A1 COMPOUNDS, METHODS, AND DEVICES FOR DETECTING AND/OR TREATING INSECT INFESTATION Bayer Cropscience LP (US) 2013-04-10 EP claimed
CN-103025157-A Compounds, methods, and devices for detecting and/or treating insect infestation BAYER CROPSCIENCE LP 2013-04-03 CN claimed
WO-2011149901-A1 COMPOUNDS, METHODS, AND DEVICES FOR DETECTING AND/OR TREATING INSECT INFESTATION BAYER CROPSCIENCE LP (US) 2011-12-01 WO claimed
EP-2575451-A1 COMPOUNDS, METHODS, AND DEVICES FOR DETECTING AND/OR TREATING INSECT INFESTATION Bayer Cropscience LP (US) 2013-04-10 EP disclosed
EP-2575443-A1 IDENTIFICATION OF INSECT ATTRACTANT, ARRESTING, AND/OR AGGREGATION COMPOUNDS AND METHODS THEREOF Bayer Cropscience LP (US) 2013-04-10 EP disclosed
CN-103025157-A Compounds, methods, and devices for detecting and/or treating insect infestation BAYER CROPSCIENCE LP 2013-04-03 CN disclosed
US-20110293553-A1 IDENTIFICATION OF INSECT ATTRACTANT, ARRESTING, AND/OR AGGREGATION COMPOUNDS AND METHODS THEREOF UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2011-12-01 US disclosed
WO-2011149899-A1 IDENTIFICATION OF INSECT ATTRACTANT, ARRESTING, AND/OR AGGREGATION COMPOUNDS AND METHODS THEREOF BAYER CROPSCIENCE LP (US) 2011-12-01 WO disclosed
WO-2011149901-A1 COMPOUNDS, METHODS, AND DEVICES FOR DETECTING AND/OR TREATING INSECT INFESTATION BAYER CROPSCIENCE LP (US) 2011-12-01 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 (1 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-20110293553-A1 IDENTIFICATION OF INSECT ATTRACTANT, ARRESTING, AND/OR AGGREGATION COMPOUNDS AND METHODS THEREOF L3MBTL3, ATG13, ARRB1 CES2 1736/4885CES1 2486/4885AKR1B1 4016/4885

“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.