SCHEMBL6989966

SCHEMBL6989966

CCC(=O)OCCCCCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 1/20 0.56
NAAA Q02083 5/20 0.55
FFAR1 O14842 1/20 0.53
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
MAPT P10636 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
PLA2G4B P0C869 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
SCHEMBL9180923 1.00 HTT (0.56) HTTTDP1LMNANAAAFFAR1
SCHEMBL16672854 0.98 TDP1 (0.58) HTTTDP1LMNANAAAFFAR1
SCHEMBL873128 0.93 LMNA (0.64) HTTTDP1LMNANAAAFFAR1
SCHEMBL5310166 0.93 LMNA (0.64) HTTTDP1LMNANAAAFFAR1
SCHEMBL16673234 0.87 TDP1 (0.62) TDP1LMNANAAAFFAR1ALDH1A1
Phenethyl Propionate SCHEMBL114088 0.86 TDP1 (0.63) TDP1LMNAFFAR1ALDH1A1SMN1; SMN2
SCHEMBL16672764 0.86 TDP1 (0.60) TDP1LMNAFFAR1ALDH1A1MAPT
SCHEMBL22614923 0.85 ESR1 (0.56) HTTLMNANAAAALDH1A1SMN1; SMN2
SCHEMBL16672456 0.85 CTDSP1 (0.53) HTTTDP1LMNANAAAFFAR1
SCHEMBL27903610 0.85 ESR1 (0.56) HTTLMNANAAAALDH1A1SMN1; SMN2

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 8 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
CN-104412441-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2015-03-11 CN disclosed
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 AUSPEX PHARMACEUTICALS, INC. (US) 2014-04-17 US disclosed
EP-0908439-B1 Use of substituted 5-phenyl-pentanols as flavour and perfume HAARMANN & REIMER GMBH (DE) 2003-01-02 EP disclosed
EP-0908439-A1 Use of substituted 5-phenyl-pentanols as flavour and perfume HAARMANN & REIMER GMBH (DE) 1999-04-14 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-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G1B, PLA2G4A, PLA2G4B HTT 4169/4885TDP1 784/4885LMNA 622/4885

“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.