SCHEMBL2833907

SCHEMBL2833907

C#CCCCCOC(=O)c1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
RAB9A P51151 2/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
ALOX5 P09917 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 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
SCHEMBL2838398 0.96 POLB (0.49) POLBMAPTTDP1L3MBTL1RAB9A
SCHEMBL2833985 0.90 RAB9A (0.50) POLBMAPTTDP1L3MBTL1RAB9A
SCHEMBL13291853 0.89 RAB9A (0.55) POLBMAPTTDP1L3MBTL1RAB9A
SCHEMBL13291866 0.84 RAB9A (0.53) POLBMAPTTDP1L3MBTL1RAB9A
SCHEMBL2831442 0.82 NPC1 (0.54) POLBTDP1L3MBTL1ALDH1A1NPC1
SCHEMBL2833709 0.82 ALOX5 (0.38) MAPTTDP1GAAKMT2ANPC1
SCHEMBL2834792 0.82 NPC1 (0.61) POLBMAPTTDP1L3MBTL1RAB9A
SCHEMBL2835010 0.81 PTPN2 (0.52) POLBMAPTTDP1L3MBTL1RAB9A
SCHEMBL2830659 0.79 PTPN2 (0.53) TDP1RAB9ACES2CES1KMT2A
SCHEMBL9456033 0.78 RAB9A (0.45) POLBMAPTTDP1L3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 POLB 398/4885MAPT 3532/4885TDP1 3303/4885

“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.