SCHEMBL1240222

SCHEMBL1240222

O=C(OBc1cc(F)ccc1F)C(=O)OBc1cc(F)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 5/20 0.44
▸ CES1 P23141 5/20 0.44
▸ CA9 Q16790 2/20 0.39
▸ CA3 P07451 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ RAB9A P51151 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ NFE2L2 Q16236 2/20 0.32
▸ CA1 P00915 1/20 0.32

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
SCHEMBL1241955 0.85 CES2 (0.44) CES2CES1CA9CA3CA6
SCHEMBL13863241 0.70 CA9 (0.48) CES2CES1CA9CA3CA6
SCHEMBL1243166 0.68 CES2 (0.39) CES2CES1
SCHEMBL112046 0.63 CES2 (0.61) CES2CES1CA9CA14RAB9A
SCHEMBL3180092 0.61 CES2 (1.00) CES2CES1CA9CA3CA6
SCHEMBL27673772 0.61 CES2 (0.74) CES2CES1CA9CA3CA6
SCHEMBL16962237 0.61 NFE2L2 (0.54) CES2CES1CA9CA3CA6
SCHEMBL10658758 0.61 CES2 (0.48) CES2CES1RAB9AMAPTLMNA
SCHEMBL20139015 0.60 CA3 (0.52) CES2CES1CA9CA3CA6
SCHEMBL23931623 0.60 CES2 (0.71) CES2CES1CA9CA3CA6

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
US-20170365855-A1 LITHIUM BATTERY SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-12-21 — — US claimed
US-20120183866-A1 Fluorinated Arylboron Oxalate as Anion Receptors and Additives for Non-Aqueous Battery Electrolytes Brookhaven Science Associates ,LLC (US) 2012-07-19 — — US claimed
WO-2011014451-A2 FLUORINATED ARYLBORON OXALATE AS ANION RECEPTORS AND ADDITIVES FOR NON-AQUEOUS BATTERY ELECTROLYTES BROOKHAVEN SCIENCE ASSOCIATES LLC (US) 2011-02-03 — — WO claimed
US-20170365855-A1 LITHIUM BATTERY SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-12-21 — — US disclosed
US-20120183866-A1 Fluorinated Arylboron Oxalate as Anion Receptors and Additives for Non-Aqueous Battery Electrolytes Brookhaven Science Associates ,LLC (US) 2012-07-19 — — US disclosed
WO-2011014451-A2 FLUORINATED ARYLBORON OXALATE AS ANION RECEPTORS AND ADDITIVES FOR NON-AQUEOUS BATTERY ELECTROLYTES BROOKHAVEN SCIENCE ASSOCIATES LLC (US) 2011-02-03 — — WO 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-20120183866-A1 Fluorinated Arylboron Oxalate as Anion Receptors and Additives for Non-Aqueous Battery Electrolytes SLCO2B1, SLCO1B1, SLCO4C1 CES2 2634/4885CES1 3715/4885CA9 1068/4885

“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.

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