SCHEMBL18803237

SCHEMBL18803237

O=C1c2cccc3cccc1c23

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.89
CES2 O00748 1/20 0.89
BCHE P06276 1/20 0.89
CES1 P23141 1/20 0.89
MCL1 Q07820 1/20 0.89
PABPC1 P11940 3/20 0.81
DNMT1 P26358 2/20 0.81
CASP1 P29466 2/20 0.81
CASP7 P55210 2/20 0.81
CYP3A4 P08684 1/20 0.81
TYMS P04818 4/20 0.64
PARP1 P09874 1/20 0.61
HSD17B10 Q99714 4/20 0.60
MAPK1 P28482 3/20 0.60
TSHR P16473 2/20 0.60
ATM Q13315 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ERCC1 P07992 1/20 0.56
FEN1 P39748 1/20 0.56
ERCC4 Q92889 1/20 0.56

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
SCHEMBL7746057 0.95 PABPC1 (0.91) ALDH1A1CES2BCHECES1MCL1
Acenaphthoquinone SCHEMBL141538 0.94 ALDH1A1 (1.00) ALDH1A1CES2BCHECES1MCL1
Acenaphthoquinone SCHEMBL2156555 0.94 ALDH1A1 (1.00) ALDH1A1CES2BCHECES1MCL1
Acenaphthoquinone SCHEMBL29586645 0.94 ALDH1A1 (1.00) ALDH1A1CES2BCHECES1MCL1
SCHEMBL4612919 0.92 ALDH1A1 (0.94) ALDH1A1CES2BCHECES1MCL1
Acenaphthoquinone SCHEMBL10628581 0.92 ALDH1A1 (0.94) ALDH1A1CES2BCHECES1MCL1
Acenaphthoquinone SCHEMBL28105137 0.92 ALDH1A1 (0.94) ALDH1A1CES2BCHECES1MCL1
Acenaphthoquinone SCHEMBL10628576 0.92 ALDH1A1 (0.94) ALDH1A1CES2BCHECES1MCL1
Benzanthrone SCHEMBL29372692 0.90 PABPC1 (1.00) ALDH1A1CES2BCHECES1MCL1
Benzanthrone SCHEMBL23838 0.90 PABPC1 (1.00) ALDH1A1CES2BCHECES1MCL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10396290-B2 Spiro organic compounds, material comprising the same for organic electroluminescence devices, and organic electroluminescence device comprising the material NANJING TOPTO MATERIALS CO., LTD. (CN) 2019-08-27 US disclosed
US-20170125684-A1 NOVEL SPIRO ORGANIC COMPOUND NANJING TOPTO MATERIALS CO., LTD. (CN) 2017-05-04 US disclosed
US-20170125678-A1 NOVEL ORGANIC COMPOUND, MATERIAL COMPRISING THE SAME FOR ORGANIC ELECTROLUMINESCENCE DEVICES, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE MATERIAL NANJING TOPTO MATERIALS CO., LTD. (CN) 2017-05-04 US disclosed
US-20170125678-A1 NOVEL ORGANIC COMPOUND, MATERIAL COMPRISING THE SAME FOR ORGANIC ELECTROLUMINESCENCE DEVICES, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE MATERIAL NANJING TOPTO MATERIALS CO., LTD. (CN) 2017-05-04 US disclosed
US-20170125684-A1 NOVEL SPIRO ORGANIC COMPOUND NANJING TOPTO MATERIALS CO., LTD. (CN) 2017-05-04 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 (3 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-20170125678-A1 NOVEL ORGANIC COMPOUND, MATERIAL COMPRISING THE SAME FOR ORGANIC ELECTROLUMINESCENCE DEVICES, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE MATERIAL OR10J3, TRPM4, PIEZO1 ALDH1A1 2975/4885CES2 4574/4885BCHE 3794/4885
US-20170125684-A1 NOVEL SPIRO ORGANIC COMPOUND PKD1, LEF1, FOXO1 ALDH1A1 48/4885CES2 4451/4885BCHE 4862/4885
US-10396290-B2 Spiro organic compounds, material comprising the same for organic electroluminescence devices, and organic electroluminescence device comprising the material SALL4, TRPA1, PORCN ALDH1A1 1311/4885CES2 4557/4885BCHE 4792/4885

“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.