SCHEMBL16673182

SCHEMBL16673182

CC(OC(=O)c1ccccc1C(F)(F)F)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HCAR2 Q8TDS4 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
TAS2R14 Q9NYV8 1/20 0.43
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
ACP3 P15309 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
P2RX7 Q99572 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL16672757 0.89 ALDH1A1 (0.44) MRGPRX1ALDH1A1TP53HSD17B10HCAR2
SCHEMBL16672643 0.88 ALDH1A1 (0.43) MRGPRX1ALDH1A1TP53HSD17B10HCAR2
SCHEMBL16672902 0.86 ALDH1A1 (0.43) MRGPRX1ALDH1A1TP53HSD17B10HCAR2
SCHEMBL16672716 0.86 ALDH1A1 (0.49) MRGPRX1ALDH1A1TP53HSD17B10HCAR2
SCHEMBL16672947 0.85 ALDH1A1 (0.42) MRGPRX1ALDH1A1TP53HSD17B10HCAR2
SCHEMBL16673432 0.84 ALDH1A1 (0.41) MRGPRX1ALDH1A1TP53HSD17B10HCAR2
SCHEMBL800329 0.84 LMNA (0.54) MRGPRX1ALDH1A1HSD17B10LMNAGAA
SCHEMBL16672846 0.83 ALDH1A1 (0.40) MRGPRX1ALDH1A1TP53HSD17B10HCAR2
SCHEMBL16672857 0.83 MRGPRX1 (0.46) MRGPRX1LMNAGAATAS2R14AKR1C3
SCHEMBL16672680 0.81 LMNA (0.42) MRGPRX1ALDH1A1LMNAGAATAS2R14

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 MRGPRX1 728/4885ALDH1A1 1423/4885TP53 4394/4885

“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.