SCHEMBL1241955

SCHEMBL1241955

O=C(OBc1ccc(F)cc1F)C(=O)OBc1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.44
▸ CES1 P23141 3/20 0.44
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 2/20 0.35
▸ ALPL P05186 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CA3 P07451 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ CA5B Q9Y2D0 1/20 0.34
▸ CYP2C19 P33261 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ ATM Q13315 1/20 0.33

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
SCHEMBL1240222 0.85 CES2 (0.44) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL13107429 0.70 CES2 (0.43) CES2CES1MAPTHTTALDH1A1
SCHEMBL14566097 0.66 ALDH1A1 (0.42) CES2CES1MAPTHTTALDH1A1
SCHEMBL10658758 0.65 CES2 (0.48) CES2CES1RAB9ALMNAMAPT
SCHEMBL21742988 0.65 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1243166 0.64 CES2 (0.39) CES2CES1
SCHEMBL523258 0.63 CES2 (0.61) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL14012584 0.63 CES2 (0.61) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL13952597 0.63 NFE2L2 (0.45) CES2CES1ALDH1A1CA3CA6
SCHEMBL30954392 0.63 CES2 (0.68) CES2CES1RAB9AMAPTALDH1A1

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 3715/4885NPC1 1542/4885

“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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