SCHEMBL16673232

SCHEMBL16673232

CCCCOC(=O)C(CC)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 3/20 0.47
PPARG P37231 5/20 0.46
PPARA Q07869 5/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.45
FAAH O00519 1/20 0.45
LTA4H P09960 1/20 0.45
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL27637374 0.94 TSHR (0.53) TSHRALDH1A1PPARGCYP3A4MAPK1
SCHEMBL16673220 0.90 LMNA (0.50) TSHRTDP1L3MBTL1ALDH1A1PPARG
SCHEMBL28003097 0.88 PPARG (0.51) TSHRTDP1L3MBTL1ALDH1A1PPARG
SCHEMBL28825718 0.85 PPARG (0.43) PPARGPPARASMN1; SMN2FAAH
SCHEMBL7248945 0.85 PPARG (0.51) TSHRTDP1L3MBTL1ALDH1A1PPARG
SCHEMBL13444679 0.84 TSHR (0.51) TSHRALDH1A1PPARGCYP3A4MAPK1
SCHEMBL13763449 0.84 TSHR (0.44) TSHRALDH1A1PPARACYP3A4MAPK1
SCHEMBL767041 0.83 TDP1 (0.55) TSHRTDP1L3MBTL1ALDH1A1PPARG
SCHEMBL16672556 0.83 L3MBTL1 (0.57) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL13864205 0.82 TLR4 (0.42) TSHRTDP1L3MBTL1ALDH1A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2869389-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-11-13 EP disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 US disclosed
US-20150140448-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-05-21 US disclosed
EP-2869389-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME Mitsubishi Chemical Corporation (JP) 2015-05-06 EP disclosed
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 AUSPEX PHARMACEUTICALS, INC. (US) 2014-04-17 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 (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-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G1B, PLA2G4A, PLA2G4B TSHR 3285/4885TDP1 784/4885L3MBTL1 3877/4885

“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.