SCHEMBL2833549

SCHEMBL2833549

O=C(Oc1ccc(F)cc1)c1c(F)cccc1F

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
ATM Q13315 1/20 0.50
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
ALDH1A1 P00352 3/20 0.45
TTR P02766 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 2/20 0.41
THRB P10828 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL24805481 0.94 KMT2A (0.54) KMT2AATMCES2CES1ALDH1A1
SCHEMBL2834432 0.86 KMT2A (0.56) KMT2ACES2CES1ALDH1A1ESR1
SCHEMBL2838178 0.85 ALDH1A1 (0.57) KMT2ACES2CES1ALDH1A1CYP1A2
SCHEMBL2834913 0.85 KMT2A (0.47) KMT2AATMCES2CES1ALDH1A1
SCHEMBL8759321 0.81 MAPT (0.53) KMT2AATMALDH1A1TTRKDM4E
SCHEMBL8758692 0.81 KMT2A (0.47) KMT2ACES2CES1ALDH1A1ESR1
SCHEMBL19626840 0.80 ESR1 (0.60) KMT2ACES2CES1ALDH1A1ESR1
SCHEMBL2833915 0.80 KMT2A (0.49) KMT2AATMCES2CES1ALDH1A1
SCHEMBL2833890 0.79 KMT2A (0.69) KMT2AATMCES2CES1ALDH1A1
SCHEMBL2833547 0.78 KMT2A (0.70) KMT2ACES2CES1ALDH1A1MAPT

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 7 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
EP-0580122-B1 4-Fluorophenylbenzoates and liquid crystal compositions containing them CITIZEN WATCH CO LTD (JP) 1997-05-28 EP disclosed
US-5364558-A Low viscosity, low threshold voltage, fluorine containing CITIZEN WATCH CO., LTD. (JP) 1994-11-15 US disclosed
EP-0580122-A1 Ester derivative Citizen Watch Co., Ltd. (JP) 1994-01-26 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 KMT2A 1023/4885ATM 3846/4885CES2 87/4885

“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.