SCHEMBL9995282

SCHEMBL9995282

O=C1C(=O)c2c(Br)c(Br)cc3cccc1c23

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.57
ALDH1A1 P00352 2/20 0.50
CES2 O00748 1/20 0.50
BCHE P06276 1/20 0.50
MCL1 Q07820 1/20 0.50
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP1B1 Q16678 2/20 0.41
DNMT1 P26358 3/20 0.40
PABPC1 P11940 2/20 0.40
CYP3A4 P08684 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPRC P08575 1/20 0.35

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
SCHEMBL30694295 0.85 CES1 (0.41) CES1ALDH1A1CES2BCHEMCL1
SCHEMBL30420926 0.79 ALDH1A1 (0.61) CES1ALDH1A1CES2BCHEMCL1
SCHEMBL27833733 0.79 ALDH1A1 (0.61) CES1ALDH1A1CES2BCHEMCL1
SCHEMBL503034 0.79 TYMS (0.53) CES1CYP1B1NPSR1TYMSDHFR
SCHEMBL3850862 0.78 NPSR1 (0.59) CES1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3682903 0.78 MAPK1 (0.46) CES1ALDH1A1MAPTMEN1KMT2A
SCHEMBL579274 0.73 CES1 (1.00) CES1ALDH1A1CES2BCHEMCL1
SCHEMBL2156357 0.73 CES1 (1.00) CES1ALDH1A1CES2BCHEMCL1
SCHEMBL16026799 0.72 NPSR1 (0.66) CES1ALDH1A1CES2BCHEMCL1
SCHEMBL10628577 0.71 CES1 (0.57) CES1ALDH1A1CES2BCHEMCL1

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-9028976-B2 Organic EL device FUTABA CORPORATION (JP) 2015-05-12 US disclosed
US-20110295017-A1 Organic EL Device TDK CORPORATION (JP) 2011-12-01 US disclosed
CN-101302219-B Fluorene derivative containing large conjugated molecule and preparation thereof UNIV DALIAN TECH 2010-12-08 CN disclosed
CN-101302219-A Fluorene derivative containing large conjugated molecule and preparation thereof UNIV DALIAN TECH (CN) 2008-11-12 CN 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-20110295017-A1 Organic EL Device LEF1, ELP1, MLLT1 CES1 2544/4885ALDH1A1 327/4885CES2 252/4885

“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.