SCHEMBL2833966

SCHEMBL2833966

COc1c(F)c(F)cc(C(=O)Oc2ccc(C)cc2)c1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
PTK2B Q14289 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TP53 P04637 1/20 0.42
LMNA P02545 3/20 0.41
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39

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
SCHEMBL2830459 0.87 ALDH1A1 (0.47) MAPTCYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL2834985 0.85 LMNA (0.43) MAPTCYP1A2CYP2C19ALDH1A1KMT2A
SCHEMBL12315391 0.85 MAPT (0.47) MAPTCYP1A2CYP2C19ALDH1A1KMT2A
SCHEMBL2834925 0.82 L3MBTL1 (0.46) MAPTCYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL28937179 0.79 HSD17B10 (0.39) MAPTCYP1A2CYP2C9KMT2ALMNA
SCHEMBL364782 0.79 MAPT (0.50) MAPTCYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL2831221 0.78 KDM4E (0.45) CYP1A2CYP2C19CYP2C9ALDH1A1KMT2A
SCHEMBL2833967 0.78 ATM (0.43) MAPTCYP2C9KMT2ALMNAMEN1
SCHEMBL18121571 0.78 CPS1 (0.54) MAPTCYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL2835446 0.76 TSHR (0.44) MAPTALDH1A1KMT2ATP53LMNA

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 MAPT 3532/4885CYP1A2 3539/4885CYP2C19 1094/4885

“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.