SCHEMBL2838570

SCHEMBL2838570

O=C(Oc1ccccc1F)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
SERPINE1 P05121 1/20 0.50
LMNA P02545 2/20 0.49
PARP10 Q53GL7 1/20 0.49
SLC2A1 P11166 1/20 0.47
SLC2A4 P14672 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PKM P14618 1/20 0.47
SLC6A3 Q01959 1/20 0.46
FAAH O00519 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
MEN1 O00255 2/20 0.45
JAK2 O60674 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL1323923 0.90 KMT2A (0.63) KMT2AMAPTSMN1; SMN2SERPINE1LMNA
SCHEMBL10091157 0.87 ESR1 (0.56) KMT2AMAPTSMN1; SMN2SLC6A3ALDH1A1
SCHEMBL17951220 0.87 FAAH (0.52) KMT2AMAPTSMN1; SMN2SERPINE1PARP10
SCHEMBL19557077 0.84 MAPT (0.54) KMT2AMAPTSMN1; SMN2L3MBTL1SERPINE1
SCHEMBL28994293 0.83 KMT2A (0.56) KMT2AMAPTSMN1; SMN2SERPINE1LMNA
SCHEMBL2838742 0.82 SLC2A1 (0.57) KMT2AMAPTSMN1; SMN2SERPINE1LMNA
SCHEMBL2831997 0.81 KMT2A (0.54) KMT2AMAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL10181125 0.80 KMT2A (0.56) KMT2AMAPTSMN1; SMN2L3MBTL1SERPINE1
SCHEMBL10180883 0.80 KMT2A (0.56) KMT2AMAPTSMN1; SMN2SERPINE1LMNA
SCHEMBL11816195 0.80 KMT2A (0.57) KMT2AMAPTSMN1; SMN2L3MBTL1SERPINE1

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 KMT2A 1023/4885MAPT 3532/4885SMN1; SMN2 3436/4885

“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.