SCHEMBL167678

SCHEMBL167678

CCCCC/C(CC)=N/O

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
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
PDE4A P27815 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
SCHEMBL167679 1.00 CES2 (0.42) CES2CES1AKR1B1GPR84PPARG
SCHEMBL9308405 1.00 CES2 (0.42) CES2CES1AKR1B1GPR84PPARG
SCHEMBL10970511 0.97 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL8489013 0.97 CES2 (0.44) CES2CES1GPR84PPARGPPARD
Hydrochloric Acid SCHEMBL8490645 0.97 CES2 (0.40) CES2CES1AKR1B1GPR84PPARG
SCHEMBL8632755 0.97 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL22115590 0.97 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL9669195 0.97 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL8489012 0.97 CES2 (0.44) CES2CES1GPR84PPARGPPARD
SCHEMBL8632750 0.97 CES2 (0.44) 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 31 patents — showing the first 20. 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
US-11963527-B2 Compounds, compositions, and methods for altering insect and organism behavior BASF CORPORATION (US) 2024-04-23 US disclosed
CN-114315834-A Imidazolidinone derivatives and their use in medicaments 成都百裕制药股份有限公司 2022-04-12 CN disclosed
CN-113121573-A Purine derivatives and their use in medicine 成都百裕制药股份有限公司 2021-07-16 CN disclosed
CN-113121538-A Furan derivative and application thereof in medicine 成都百裕制药股份有限公司 2021-07-16 CN disclosed
US-10556899-B2 Method for preparing Maraviroc SCI PHARMTECH, INC. (TW) 2020-02-11 US disclosed
US-20190248782-A1 METHOD FOR PREPARING MARAVIROC SCI PHARMTECH, INC. (TW) 2019-08-15 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-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
US-5856489-A Process for the production of aminoazobicycloalkanes from oximes SMITHKLINE BEECHAM P.L.C. (GB) 1999-01-05 US disclosed
US-5753673-A Quinolinecarboxylic acid derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
EP-0764165-A1 PREPARATION OF STEREOCHEMICALLY PURE OXIMES WITH MUSCARINIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1997-03-26 EP disclosed
US-5514812-A Preparation of stereochemically pure oximes with muscarinic activity WARNER-LAMBERT COMPANY (US) 1996-05-07 US disclosed
WO-1995034562-A1 PREPARATION OF STEREOCHEMICALLY PURE OXIMES WITH MUSCARINIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1995-12-21 WO disclosed
US-4424213-A PESTICIDES SDS BIOTECH CORPORATION (US) 1984-01-03 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-20110293553-A1 IDENTIFICATION OF INSECT ATTRACTANT, ARRESTING, AND/OR AGGREGATION COMPOUNDS AND METHODS THEREOF L3MBTL3, ATG13, ARRB1 CES2 1736/4885CES1 2486/4885AKR1B1 4016/4885
US-11963527-B2 Compounds, compositions, and methods for altering insect and organism behavior ACHE, DDT, MGLL CES2 55/4885CES1 120/4885AKR1B1 3708/4885
US-20190104732-A1 Compounds, Compositions, and Methods for Altering Insect and Organism Behavior ACHE, DDT, MGLL CES2 55/4885CES1 120/4885AKR1B1 3708/4885
US-10556899-B2 Method for preparing Maraviroc CYP3A43, NAT10, CYP3A5 CES2 32/4885CES1 69/4885AKR1B1 1339/4885
US-20190248782-A1 METHOD FOR PREPARING MARAVIROC CYP3A43, NAT10, CYP3A5 CES2 32/4885CES1 69/4885AKR1B1 1339/4885

“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.