SCHEMBL2834432

SCHEMBL2834432

O=C(Oc1ccccc1)c1c(F)cccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MAPT P10636 6/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
NSD2 O96028 1/20 0.50
PTK2B Q14289 1/20 0.49
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44

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 0.92 KMT2A (0.54) KMT2AMAPTKDM4ECES2CES1
SCHEMBL2833549 0.86 KMT2A (0.54) KMT2AMAPTKDM4ECES2CES1
SCHEMBL2838650 0.85 NSD2 (0.51) KMT2AMAPTTDP1KDM4ENSD2
SCHEMBL2838178 0.83 ALDH1A1 (0.57) KMT2AMAPTCES2CES1PTK2B
SCHEMBL2835534 0.82 HPGD (0.50) MAPTTDP1KDM4ENSD2PTK2B
SCHEMBL28607802 0.80 KMT2A (0.45) KMT2AMAPTCES2CES1ALDH1A1
SCHEMBL2833547 0.80 KMT2A (0.70) KMT2AMAPTCES2CES1ALDH1A1
SCHEMBL10348579 0.80 RAB9A (0.55) KMT2AMAPTTDP1KDM4ERAB9A
SCHEMBL2831844 0.80 KMT2A (0.68) KMT2AMAPTTDP1KDM4ECES2
SCHEMBL2836091 0.79 NSD2 (0.50) KMT2AMAPTTDP1KDM4ENSD2

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 KMT2A 1023/4885MAPT 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.