SCHEMBL17697668

SCHEMBL17697668

COC(=O)Oc1c(Cc2ccccc2)cccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
FOLH1 Q04609 1/20 0.40
CD274 Q9NZQ7 3/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PDCD1 Q15116 2/20 0.40
HSP90AA1 P07900 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BACE1 P56817 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 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
SCHEMBL17720773 0.88 TSHR (0.42) L3MBTL1KMT2ANR1H4FOLH1CD274
SCHEMBL17697658 0.86 PDE3B (0.44) FOLH1CD274PPARGPPARAPDCD1
SCHEMBL17720751 0.86 FOLH1 (0.39) L3MBTL1KMT2ANR1H4FOLH1CD274
SCHEMBL17697655 0.86 FOLH1 (0.40) KMT2AFOLH1CD274PPARGPPARA
SCHEMBL17697670 0.85 PTGER1 (0.44) L3MBTL1KMT2AFOLH1ALDH1A1TDP1
SCHEMBL17720760 0.84 ALOX5 (0.45) L3MBTL1KMT2AFOLH1CD274PPARG
SCHEMBL17720791 0.84 SMN1; SMN2 (0.43) L3MBTL1CD274PDCD1SMN1; SMN2ALDH1A1
SCHEMBL17697671 0.84 PTGER4 (0.43) FOLH1PPARGPPARABACE1MAPT
SCHEMBL17697649 0.83 BACE1 (0.49) L3MBTL1KMT2ANR1H4HSP90AA1SMN1; SMN2
SCHEMBL17720754 0.83 L3MBTL1 (0.37) L3MBTL1KMT2AFOLH1CD274PPARG

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 L3MBTL1 4520/4885KMT2A 445/4885NR1H4 1308/4885

“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.