SCHEMBL11065093

SCHEMBL11065093

CC(=O)COCCOCC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.61
ALDH1A1 P00352 10/20 0.42
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.39
TRPA1 O75762 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 4/20 0.32
SLC15A2 Q16348 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL20932195 0.97 CES2 (0.58) CES2ALDH1A1TSHRTDP1TRPA1
SCHEMBL22198415 0.97 CES2 (0.58) CES2ALDH1A1TSHRTDP1TRPA1
SCHEMBL26279694 0.97 CES2 (0.58) CES2ALDH1A1TSHRTDP1TRPA1
SCHEMBL805276 0.89
SCHEMBL18768943 0.89 CES2 (0.52) CES2ALDH1A1TSHRTDP1TRPA1
SCHEMBL1618494 0.89 CES2 (0.52) CES2ALDH1A1TSHRTDP1TRPA1
SCHEMBL1417339 0.89 ALDH1A1 (0.58) CES2ALDH1A1TSHRTDP1THRB
SCHEMBL19661922 0.88 CES2 (0.77) CES2ALDH1A1TSHRTDP1TRPA1
SCHEMBL20932198 0.88 CES2 (0.70) CES2ALDH1A1TSHRTDP1TRPA1
SCHEMBL18467759 0.87 CES2 (0.50) CES2ALDH1A1TSHRTDP1MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59196319-A None JP disclosed
US-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-11-09 US disclosed
EP-3922260-A2 INSULIN RECEPTOR PARTIAL AGONISTS AND GLP-1 ANALOGUES MERCK SHARP & DOHME CORP. (US) 2021-12-15 EP disclosed
US-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-12-14 US disclosed
WO-2017205191-A1 INSULIN RECEPTOR PARTIAL AGONISTS AND GLP-1 ANALOGUES MERCK SHARP & DOHME CORP. (US) 2017-11-30 WO disclosed
US-9808011-B2 Pentacyclic triterpene compounds and uses thereof BIOVECTRA INC. (CA) 2017-11-07 US disclosed
US-20170107268-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-04-20 US disclosed
US-20160165892-A1 PENTACYCLIC TRITERPENE COMPOUNDS AND USES THEREOF AGILENT TECHNOLOGIES, INC. 2016-06-16 US disclosed
WO-2016081670-A2 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2016-05-26 WO disclosed
US-8765189-B2 Organophosphorous and multivalent metal compound compositions and methods Howmedica Osteonic Corp. (US) 2014-07-01 US disclosed
US-8658261-B2 Composition, film, polarizing plate, and liquid crystal display device FUJIFILM CORPORATION (JP) 2014-02-25 US disclosed
US-20120288446-A1 ORGANOPHOSPHOROUS & MULTIVALENT METAL COMPOUND COMPOSITIONS & METHODS HOWMEDICA OSTEONICS CORP. 2012-11-15 US disclosed
US-20090109378-A1 COMPOSITION, FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2009-04-30 US disclosed
US-20070203165-A1 COMPOUNDS AND METHODS FOR LOWERING THE ABUSE POTENTIAL AND EXTENDING THE DURATION OF ACTION OF A DRUG CONTROLLED CHEMICALS, INC. (US) 2007-08-30 US disclosed
JP-S59196319-A PRODUCTION OF POLYAMIC ACID HITACHI CHEM CO LTD 1984-11-07 JP 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 (6 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-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA CES2 2441/4885ALDH1A1 1175/4885TSHR 3763/4885
US-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 CES2 2734/4885ALDH1A1 4716/4885TSHR 27/4885
US-20160165892-A1 PENTACYCLIC TRITERPENE COMPOUNDS AND USES THEREOF GGPS1, LSS, ERG28 CES2 1851/4885ALDH1A1 3126/4885TSHR 3279/4885
US-20120288446-A1 ORGANOPHOSPHOROUS & MULTIVALENT METAL COMPOUND COMPOSITIONS & METHODS PHOSPHO1, PSPH, PTMS CES2 3762/4885ALDH1A1 4733/4885TSHR 4060/4885
US-20070203165-A1 COMPOUNDS AND METHODS FOR LOWERING THE ABUSE POTENTIAL AND EXTENDING THE DURATION OF ACTION OF A DRUG CRH, OPRK1, SI CES2 14/4885ALDH1A1 544/4885TSHR 4533/4885
US-20170107268-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 CES2 2734/4885ALDH1A1 4716/4885TSHR 27/4885

“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.