SCHEMBL2829948

SCHEMBL2829948

Cc1ccc(OC(=O)c2cccc(F)c2)c(C)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.69
ALDH1A1 P00352 2/20 0.69
MAPT P10636 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 3/20 0.52
ESR1 P03372 2/20 0.51
ESR2 Q92731 2/20 0.51
POLB P06746 1/20 0.48
KDM4E B2RXH2 3/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL2835178 0.85 KMT2A (0.60) KMT2AALDH1A1MAPTMEN1ESR1
SCHEMBL2833903 0.83 CYP1A2 (0.56) KMT2AALDH1A1MAPTNPSR1CYP1A2
SCHEMBL9421256 0.83 KMT2A (0.52) KMT2AMAPTL3MBTL1MEN1SMN1; SMN2
SCHEMBL2830641 0.82 KMT2A (0.54) KMT2AALDH1A1MAPTNPSR1CYP1A2
SCHEMBL2832037 0.82 KMT2A (0.57) KMT2AALDH1A1MAPTNPSR1MEN1
SCHEMBL2829946 0.81 KMT2A (0.63) KMT2AALDH1A1MAPTL3MBTL1MEN1
SCHEMBL19360003 0.80 ESR1 (0.63) KMT2AALDH1A1MAPTMEN1ESR1
SCHEMBL2835172 0.80 ESR1 (0.63) KMT2AALDH1A1MAPTMEN1ESR1
SCHEMBL14407746 0.79 CYP1A2 (0.52) KMT2AMAPTNPSR1CYP1A2CYP3A4
SCHEMBL15582435 0.77 L3MBTL1 (0.50) KMT2AMAPTNPSR1CYP1A2CYP3A4

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 2511/4885MAPT 3532/4885

“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.