SCHEMBL3142041

SCHEMBL3142041

CCCCCC(=O)C(C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.54
AKR1B1 P15121 1/20 0.52
PPARG P37231 6/20 0.50
PPARD Q03181 6/20 0.50
PPARA Q07869 6/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 4/20 0.50
GPR84 Q9NQS5 4/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
FABP4 P15090 2/20 0.50
PTPN1 P18031 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
FAAH O00519 1/20 0.50
MAPK1 P28482 1/20 0.50
ESR1 P03372 1/20 0.50

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
SCHEMBL28823312 0.98 CES2 (0.57) CES2PPARGPPARDPPARAHDAC11
SCHEMBL8637203 0.98 CES2 (0.57) CES2PPARGPPARDPPARAHDAC11
SCHEMBL28923381 0.98 CES2 (0.57) CES2PPARGPPARDPPARAHDAC11
SCHEMBL8780156 0.98 CES2 (0.57) CES2PPARGPPARDPPARAHDAC11
SCHEMBL10360944 0.98 CES2 (0.57) CES2PPARGPPARDPPARAHDAC11
SCHEMBL18528772 0.98 CES2 (0.57) CES2PPARGPPARDPPARAHDAC11
SCHEMBL19732886 0.98 CES2 (0.57) CES2PPARGPPARDPPARAHDAC11
Ammonia Solution, Strong SCHEMBL27577496 0.96 CES2 (0.55) CES2PPARGPPARDPPARAHDAC11
SCHEMBL2411791 0.93 CES2 (0.46) CES2AKR1B1ALDH1A1MEN1KMT2A
SCHEMBL5528500 0.93 CES2 (0.46) CES2AKR1B1ALDH1A1MEN1KMT2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104418640-A Liquid fertilizer specially for water-saving irrigation and preparation method thereof YAN XIAOTIAN 2015-03-18 CN claimed
CN-1239438-C Liquid fertilizer specially for water-saving irrigation and its prepn process SHAANXI JUCHUANFUWAN POTASSIUM (CN) 2006-02-01 CN claimed
EP-0340247-B1 NEW PROCESS FOR THE ANTIPODAL SEPARATION OF BICYCLO 3.3.0]OCTANE-3,7-DION-2-CARBOXYLIC ACID ESTERS AND THEIR 7-MONOCETALS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-28 EP claimed
EP-0340247-A1 NEW PROCESS FOR THE ANTIPODAL SEPARATION OF BICYCLO 3.3.0]OCTANE-3,7-DION-2-CARBOXYLIC ACID ESTERS AND THEIR 7-MONOCETALS. SCHERING AG (DE) 1989-11-08 EP claimed
WO-1988007050-A1 NEW PROCESS FOR THE ANTIPODAL SEPARATION OF BICYCLO[3.3.0]OCTANE-3,7-DION-2-CARBOXYLIC ACID ESTERS AND THEIR 7-MONOCETALS SCHERING AKTIENGESELLSCHAFT (DE) 1988-09-22 WO claimed
CN-104418640-A Liquid fertilizer specially for water-saving irrigation and preparation method thereof YAN XIAOTIAN 2015-03-18 CN disclosed
US-8269024-B2 Compounds and methods for modulating communication and virulence in quorum sensing bacteria WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-09-18 US disclosed
US-20100305182-A1 COMPOUNDS AND METHODS FOR MODULATING COMMUNICATION AND VIRULENCE IN QUORUM SENSING BACTERIA BLACKWELL HELEN E 2010-12-02 US disclosed
US-7642285-B2 Compounds and methods for modulating communication and virulence in quorum sensing bacteria WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-01-05 US disclosed
EP-1602354-B1 Use of polyglutamic acid or its salts MEIJI SEIKA KAISHA (JP) 2008-11-05 EP disclosed
EP-1848703-A2 COMPOUNDS AND METHODS FOR MODULATING COMMUNICATION AND VIRULENCE IN QUORUM SENSING BACTERIA WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-10-31 EP disclosed
WO-2006084056-A2 COMPOUNDS AND METHODS FOR MODULATING COMMUNICATION AND VIRULENCE IN QUORUM SENSING BACTERIA WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2006-08-10 WO disclosed
EP-0660308-B1 Coating compositions for a transparent magnetic recording layer EASTMAN KODAK CO (US) 1998-02-25 EP disclosed
EP-0660308-A1 Coating compositions for a transparent magnetic recording layer EASTMAN KODAK COMPANY (US) 1995-06-28 EP disclosed
EP-0660178-A2 Photographic element having a transparent magnetic layer and a process of preparing the same EASTMAN KODAK COMPANY (US) 1995-06-28 EP disclosed
US-5397826-A Coating compositions for a transparent magnetic recording layer EASTMAN KODAK COMPANY (US) 1995-03-14 US disclosed
US-5395743-A Polyalkyleneimine binder with polylactone branches EASTMAN KODAK COMPANY (US) 1995-03-07 US disclosed
EP-0083690-B1 POLYAMIDE ACID COMPOSITION FOR PREPARING POLYIMIDE AND PROCESS FOR PREPARING POLYIMIDE FROM THE SAME KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1986-03-12 EP disclosed
US-4454276-A POT LIFE EXTENDING AGENT Kanegafuchi Chkagaku Kogyo Kabushiki Kaisha (JP) 1984-06-12 US disclosed
EP-0083690-A1 Polyamide acid composition for preparing polyimide and process for preparing polyimide from the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1983-07-20 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 (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-20100305182-A1 COMPOUNDS AND METHODS FOR MODULATING COMMUNICATION AND VIRULENCE IN QUORUM SENSING BACTERIA AHCYL1, BPHL, AIP CES2 4012/4885AKR1B1 1859/4885PPARG 2830/4885

“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.