SCHEMBL16673104

SCHEMBL16673104

CCC=C(C)C(=O)Oc1ccccc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
GAA P10253 1/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
F2R P25116 1/20 0.37
VNN1 O95497 1/20 0.37
KCNK3 O14649 3/20 0.36
KCNK9 Q9NPC2 3/20 0.36
PPARG P37231 2/20 0.36
SCN9A Q15858 1/20 0.35
SSTR1 P30872 1/20 0.35
SSTR4 P31391 1/20 0.35
EPHX2 P34913 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL16672833 0.82 POLB (0.44) ALDH1A1L3MBTL1ATM
SCHEMBL16672721 0.81 L3MBTL1 (0.50) ALDH1A1L3MBTL1GAAHCRTR1
SCHEMBL28164367 0.79 LMNA (0.39) ALDH1A1L3MBTL1TDP1
SCHEMBL7644976 0.79 TDP1 (0.42) RXRARXRBRXRGALDH1A1L3MBTL1
SCHEMBL1949305 0.79 GAA (0.42) ALDH1A1GAAATMTDP1
SCHEMBL16672601 0.78 RXRA (0.42) RXRARXRBRXRGALDH1A1L3MBTL1
SCHEMBL16672891 0.78 RXRA (0.43) RXRARXRBRXRGALDH1A1L3MBTL1
SCHEMBL28111010 0.78 MAPT (0.40) RXRARXRBALDH1A1
SCHEMBL10322799 0.76 PTGS2 (0.52) RXRARXRBRXRGALDH1A1L3MBTL1
SCHEMBL22365642 0.75 L3MBTL1 (0.43) RXRARXRBRXRGALDH1A1L3MBTL1

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 RXRA 1694/4885RXRB 1744/4885RXRG 1703/4885

“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.