SCHEMBL16673133

SCHEMBL16673133

CCC(OCc1ccccc1)C(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
CYP1A2 P05177 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.43
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
PPARD Q03181 1/20 0.42
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL28008652 0.85 L3MBTL1 (0.46) ALDH1A1TSHRL3MBTL1CYP1A2KMT2A
SCHEMBL16672561 0.85 ALDH1A1 (0.55) ALDH1A1TSHRL3MBTL1SLC1A3SLC1A2
SCHEMBL28032442 0.85 SLC1A3 (0.41) ALDH1A1TSHRL3MBTL1SLC1A3SLC1A2
SCHEMBL16559554 0.84 ALDH1A1 (0.49) ALDH1A1TSHRL3MBTL1SLC1A3SLC1A2
SCHEMBL16672540 0.84 ALDH1A1 (0.49) ALDH1A1TSHRL3MBTL1SLC1A3SLC1A2
SCHEMBL9902801 0.84 L3MBTL1 (0.51) ALDH1A1L3MBTL1SLC1A3SLC1A2SLC1A1
SCHEMBL15528161 0.82 SLC1A3 (0.53) ALDH1A1L3MBTL1SLC1A3SLC1A2SLC1A1
SCHEMBL2384187 0.82 SLC1A3 (0.53) ALDH1A1L3MBTL1SLC1A3SLC1A2SLC1A1
SCHEMBL1273202 0.82 SLC1A3 (0.53) ALDH1A1L3MBTL1SLC1A3SLC1A2SLC1A1
SCHEMBL16672702 0.81 LMNA (0.47) ALDH1A1TSHRL3MBTL1SLC1A3SLC1A2

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 ALDH1A1 1423/4885TSHR 3285/4885L3MBTL1 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.