SCHEMBL2833555

SCHEMBL2833555

C=CCCCOC(=O)c1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
POLB P06746 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.40
TSHR P16473 2/20 0.38
MAPK1 P28482 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
SCHEMBL2832589 0.91 RAB9A (0.49) RAB9APOLBL3MBTL1MAPTTDP1
SCHEMBL13291853 0.86 RAB9A (0.55) RAB9APOLBL3MBTL1MAPTTDP1
SCHEMBL2834998 0.82 CYP3A4 (0.50) L3MBTL1TDP1ALDH1A1NPC1TSHR
SCHEMBL2831224 0.82 CYP3A4 (0.57) RAB9APOLBL3MBTL1MAPTTDP1
SCHEMBL2834534 0.81 ALDH1A1 (0.39) POLBL3MBTL1TDP1ALDH1A1GAA
SCHEMBL13291866 0.81 RAB9A (0.53) RAB9APOLBL3MBTL1MAPTTDP1
SCHEMBL9456033 0.81 RAB9A (0.45) RAB9APOLBL3MBTL1MAPTTDP1
SCHEMBL2831218 0.79 ALDH1A1 (0.50) RAB9APOLBL3MBTL1MAPTTDP1
SCHEMBL2838398 0.78 POLB (0.49) RAB9APOLBL3MBTL1MAPTTDP1
SCHEMBL2835102 0.77 NPC1 (0.46) RAB9APOLBL3MBTL1TDP1CES2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101595082-B Ester compound, and non-aqueous electrolyte solution and lithium secondary battery each using the ester compound UBE INDUSTRIES 2013-08-21 CN disclosed
US-8263268-B2 Ester compound, and non-aqueous electrolyte solution and lithium secondary battery each using the ester compound UBE INDUSTRIES, LTD. (JP) 2012-09-11 US disclosed
EP-2108640-B1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND UBE INDUSTRIES (JP) 2012-07-25 EP disclosed
US-20100119955-A1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND UBE INDUSTRIES, LTD. (JP) 2010-05-13 US disclosed
CN-101595082-A Ester cpds, the nonaqueous electrolytic solution that uses this ester cpds and lithium secondary battery UBE INDUSTRIES (JP) 2009-12-02 CN disclosed
EP-2108640-A1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND Ube Industries, Ltd. (JP) 2009-10-14 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-20100119955-A1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND CEL, LAGE3, PEF1 RAB9A 643/4885POLB 398/4885L3MBTL1 2759/4885

“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.