SCHEMBL16673102

SCHEMBL16673102

CCOC(=O)C(C)=Cc1ccccc1OC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
LMNA P02545 3/20 0.53
MAPT P10636 3/20 0.53
POLB P06746 2/20 0.53
PLIN1 O60240 1/20 0.53
PLIN5 Q00G26 1/20 0.53
ABHD5 Q8WTS1 1/20 0.53
FBP1 P09467 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP2C19 P33261 1/20 0.40
ANO1 Q5XXA6 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 1/20 0.38
PPARG P37231 1/20 0.38
CYP11B1 P15538 1/20 0.38

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
SCHEMBL747081 0.83 KMT2A (0.76) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL16672718 0.83 LMNA (0.58) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL747080 0.83 KMT2A (0.76) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL7009987 0.82 ALDH1A1 (0.39) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL7009992 0.82 ALDH1A1 (0.39) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL1508462 0.81 AKR1C3 (0.47) KMT2ALMNAPOLBANO1ALDH1A1
SCHEMBL1508463 0.81 AKR1C3 (0.47) KMT2ALMNAPOLBANO1ALDH1A1
SCHEMBL27822646 0.79 TRPA1 (0.54) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL21065589 0.78 KMT2A (0.51) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL2499425 0.77 CYP11B1 (0.46) MEN1KMT2ALMNAMAPTPOLB

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 MEN1 3297/4885KMT2A 1547/4885LMNA 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.