SCHEMBL9995293

SCHEMBL9995293

O=C1C(=O)c2c(-c3ccccc3)c(-c3ccccc3)cc3cccc1c23

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.58
ALDH1A1 P00352 3/20 0.47
CES2 O00748 1/20 0.47
BCHE P06276 1/20 0.47
MCL1 Q07820 1/20 0.47
DNMT1 P26358 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
CYP3A4 P08684 1/20 0.42
PABPC1 P11940 1/20 0.42
KDM4E B2RXH2 4/20 0.40
RAB9A P51151 3/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL1923716 0.81 ALDH1A1 (0.45) CES1ALDH1A1DNMT1CASP1CASP7
SCHEMBL2346874 0.79 ALDH1A1 (0.53) CES1ALDH1A1CASP1CASP7KDM4E
SCHEMBL29270351 0.79 CES1 (0.50) CES1ALDH1A1CES2BCHEMCL1
SCHEMBL31000361 0.79 CES1 (0.50) CES1ALDH1A1CES2BCHEMCL1
SCHEMBL2138002 0.76 CES1 (0.43) CES1ALDH1A1DNMT1CASP1CASP7
SCHEMBL4939013 0.76 CES1 (0.46) CES1ALDH1A1DNMT1CASP1CASP7
SCHEMBL29268744 0.74 CES1 (0.44) CES1ALDH1A1MCL1DNMT1CASP1
Acenaphthoquinone SCHEMBL19212172 0.74 ALDH1A1 (0.77) CES1ALDH1A1CES2BCHEMCL1
SCHEMBL2156357 0.74 CES1 (1.00) CES1ALDH1A1CES2BCHEMCL1
SCHEMBL10015442 0.74 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 2 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

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.