SCHEMBL2831044

SCHEMBL2831044

COc1c(F)c(F)cc(C(=O)OCCC(C)OC(=O)c2cc(F)c(F)c(OC)c2F)c1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 2/20 0.33
HTT P42858 1/20 0.31

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
SCHEMBL2834439 0.87 TSHR (0.39) KMT2AALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL2829961 0.85 KMT2A (0.42) KMT2AALDH1A1GAASMN1; SMN2MAPT
SCHEMBL2831142 0.83 NR1H2 (0.34) KMT2AALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL2831392 0.82 KMT2A (0.47) KMT2AALDH1A1GAALMNATSHR
SCHEMBL2834707 0.82 KMT2A (0.51) KMT2AGAATSHR
SCHEMBL2832574 0.81 ALDH1A1 (0.47) KMT2AALDH1A1KDM4EMAPTLMNA
SCHEMBL2835446 0.78 TSHR (0.44) KMT2AALDH1A1KDM4EMAPTLMNA
SCHEMBL2835356 0.77 SERPINE1 (0.38) KMT2AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL28420788 0.76 HSD17B1 (0.35) KMT2AALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL28785157 0.76 GAA (0.37) KMT2AGAASMN1; SMN2MAPTLMNA

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 1023/4885ALDH1A1 2511/4885KDM4E 821/4885

“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.