SCHEMBL17697649

SCHEMBL17697649

COC(=O)Oc1c(-c2ccccc2)cccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.49
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
FGFR1 P11362 1/20 0.46
SRC P12931 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR4 P22455 1/20 0.46
FGFR3 P22607 1/20 0.46
NR1H4 Q96RI1 1/20 0.44
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
HTT P42858 3/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
HNF4A P41235 1/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.41
MITF O75030 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
SCHEMBL9378330 0.90 HPGD (0.46) BACE1KDM4EHSD17B10HPGDFGFR1
SCHEMBL5282842 0.90 L3MBTL1 (0.47) BACE1KDM4EHSD17B10HPGDFGFR1
SCHEMBL17703422 0.86 BACE1 (0.54) BACE1KDM4EHSD17B10HPGDFGFR1
SCHEMBL17720744 0.84 PDCD1 (0.47) BACE1NR1H4HNF4AKMT2AMAPT
SCHEMBL17720739 0.84 PDE4B (0.44) BACE1KDM4EHSD17B10HPGDFGFR1
SCHEMBL17697668 0.83 L3MBTL1 (0.43) BACE1NR1H4HSP90AA1ALDH1A1L3MBTL1
SCHEMBL17720738 0.82 BACE1 (0.46) BACE1NR1H4HTTHNF4AL3MBTL1
SCHEMBL17720733 0.82 L3MBTL1 (0.50) BACE1KDM4EHSD17B10HPGDFGFR1
SCHEMBL17697654 0.81 BACE1 (0.49) BACE1KDM4EHSD17B10HPGDGAA
SCHEMBL1834873 0.81 KDM4E (0.61) KDM4EHSD17B10HPGDFGFR1SRC

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-3012896-B1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND BIPHENYL GROUP-CONTAINING CARBONATE COMPOUND USED IN SAME UBE INDUSTRIES (JP) 2018-03-28 EP claimed
US-20160126593-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND BIPHENYL GROUP-CONTAINING CARBONATE COMPOUND USED IN SAME UBE INDUSTRIES, LTD. (JP) 2016-05-05 US claimed
EP-3012896-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND BIPHENYL GROUP-CONTAINING CARBONATE COMPOUND USED IN SAME UBE Industries, Ltd. (JP) 2016-04-27 EP claimed
EP-3012896-B1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND BIPHENYL GROUP-CONTAINING CARBONATE COMPOUND USED IN SAME UBE INDUSTRIES (JP) 2018-03-28 EP disclosed
US-20160126593-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND BIPHENYL GROUP-CONTAINING CARBONATE COMPOUND USED IN SAME UBE INDUSTRIES, LTD. (JP) 2016-05-05 US disclosed
US-20160126593-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND BIPHENYL GROUP-CONTAINING CARBONATE COMPOUND USED IN SAME UBE INDUSTRIES, LTD. (JP) 2016-05-05 US disclosed
US-20160126593-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND BIPHENYL GROUP-CONTAINING CARBONATE COMPOUND USED IN SAME UBE INDUSTRIES, LTD. (JP) 2016-05-05 US disclosed
EP-3012896-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND BIPHENYL GROUP-CONTAINING CARBONATE COMPOUND USED IN SAME UBE Industries, Ltd. (JP) 2016-04-27 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-20160126593-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND BIPHENYL GROUP-CONTAINING CARBONATE COMPOUND USED IN SAME BMI1, KCNN2, CACNA2D4 BACE1 3406/4885KDM4E 39/4885HSD17B10 526/4885

“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.