SCHEMBL5482803

SCHEMBL5482803

CCCCOCC(C)OC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
USP2 O75604 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
PLA2G2C Q5R387 2/20 0.39
TSHR P16473 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
HTT P42858 1/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
CES2 O00748 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
LMNA P02545 2/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR3 Q9UBY5 2/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5486585 0.96 TSHR (0.41) TDP1USP2ALDH1A1KDM4EALOX15
SCHEMBL1470241 0.86 PLA2G2C (0.44) TDP1USP2ALDH1A1PLA2G2CTSHR
SCHEMBL107643 0.85 ALDH1A1 (0.47) TDP1USP2ALDH1A1KDM4EALOX15
SCHEMBL30945799 0.83 TSHR (0.44) TDP1USP2ALDH1A1KDM4EALOX15
SCHEMBL1470049 0.83 PLA2G2C (0.45) TDP1USP2ALDH1A1PLA2G2CTSHR
SCHEMBL2249529 0.83 ALDH1A1 (0.41) TDP1USP2ALDH1A1KDM4EALOX15
SCHEMBL443948 0.83 NAAA (0.41) TDP1USP2ALDH1A1PLA2G2CTSHR
Water SCHEMBL27447449 0.83 ALDH1A1 (0.45) TDP1USP2ALDH1A1KDM4EALOX15
SCHEMBL11529242 0.81 TSHR (0.41) ALDH1A1PLA2G2CTSHRHTTHSD17B10
SCHEMBL15259597 0.81 TDP1 (0.46) TDP1USP2ALDH1A1KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708500-B2 Solvent compounds for use as coalescents TBF ENVIRONMENTAL TECHNOLOGY INC. (CA) 2023-07-25 US disclosed
CN-113461533-A Diesel oil cleaning component based on carbonic acid diether ester and application thereof 中国人民解放军火箭军工程大学 2021-10-01 CN disclosed
WO-2019069209-A1 SOLVENT COMPOUNDS FOR USE AS COALESCENTS TBF ENVIRONMENTAL TECHNOLOGY INC. (CA) 2019-04-11 WO disclosed
US-9231274-B2 Nonaqueous electrolyte solution and lithium secondary battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2016-01-05 US disclosed
US-20130196225-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2013-08-01 US disclosed
US-20070224514-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same MITSUBISHI CHEMICAL CORPORATION (JP) 2007-09-27 US disclosed
EP-1744394-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2007-01-17 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-11708500-B2 Solvent compounds for use as coalescents CYP2B6, CYP3A43, CYP3A4 TDP1 1604/4885USP2 3787/4885ALDH1A1 1364/4885

“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.