SCHEMBL9669195

SCHEMBL9669195

CCCCCCC/C(CC)=N/O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
TSHR P16473 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
PTPN1 P18031 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX15 P16050 1/20 0.42
PDE4A P27815 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9669201 1.00 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL11881637 1.00 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL8632750 1.00 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL11881632 1.00 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL8489013 1.00 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL10970511 1.00 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL8632755 1.00 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL8489012 1.00 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL22115590 1.00 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL167678 0.97 CES2 (0.42) CES2CES1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11963527-B2 Compounds, compositions, and methods for altering insect and organism behavior BASF CORPORATION (US) 2024-04-23 US disclosed
US-20190104732-A1 Compounds, Compositions, and Methods for Altering Insect and Organism Behavior BASF CORPORATION 2019-04-11 US disclosed
EP-3027022-A2 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REPELLING AN INSECT FROM AN AREA, ARTICLE, AND/OR STRUCTURE Bayer CropScience LP (US) 2016-06-08 EP disclosed
US-20160029628-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REPELLING AN INSECT FROM AN AREA,ARTICLE, AND/OR STRUCTURE BAYER CROPSCIENCE LP (US) 2016-02-04 US disclosed
EP-2967041-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR ALTERING INSECT AND ORGANISM BEHAVIOR Bayer CropScience LP (US) 2016-01-20 EP disclosed
CN-105208858-A Compounds, compositions, and methods for repelling an insect from an area, article, and/or structure BAYER CROPSCIENCE LP 2015-12-30 CN disclosed
US-20150257384-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR ALTERING INSECT AND ORGANISM BEHAVIOR BASF CORPORATION 2015-09-17 US disclosed
WO-2014146143-A2 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REPELLING AN INSECT FROM AN AREA, ARTICLE, AND/OR STRUCTURE BAYER CROPSCIENCE LP (US) 2014-09-18 WO disclosed
WO-2014146145-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR ALTERING INSECT AND ORGANISM BEHAVIOR BAYER CROPSCIENCE LP (US) 2014-09-18 WO disclosed
EP-0490901-A1 NOVEL SPIROFURANE DERIVATIVES Astra Aktiebolag (SE) 1992-06-24 EP disclosed
EP-0490901-A4 NOVEL SPIROFURANE DERIVATIVES. FISONS CORP (US) 1992-04-13 EP disclosed
WO-1990015804-A1 NOVEL SPIROFURANE DERIVATIVES FISONS CORPORATION (US) 1990-12-27 WO disclosed
US-3965177-A POLYOXYALKYLATED ALKANONES OR ALKANAL OXIMES, BASIC NITROGEN CATALYST TEXACO INC. (US) 1976-06-22 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 (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-20160029628-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REPELLING AN INSECT FROM AN AREA,ARTICLE, AND/OR STRUCTURE ACHE, BCHE, SGMS1 CES2 54/4885CES1 414/4885GPR84 3063/4885
US-11963527-B2 Compounds, compositions, and methods for altering insect and organism behavior ACHE, DDT, MGLL CES2 55/4885CES1 120/4885GPR84 4022/4885
US-20150257384-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR ALTERING INSECT AND ORGANISM BEHAVIOR ACHE, DDT, MGLL CES2 55/4885CES1 120/4885GPR84 4022/4885
US-20190104732-A1 Compounds, Compositions, and Methods for Altering Insect and Organism Behavior ACHE, DDT, MGLL CES2 55/4885CES1 120/4885GPR84 4022/4885

“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.