SCHEMBL4077152

SCHEMBL4077152

O=[C]Nc1ccc2cccc3c4cccc5cccc(c1c23)c54

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 5/20 0.47
CYP1A2 P05177 4/20 0.47
HSD17B10 Q99714 4/20 0.47
THRB P10828 1/20 0.47
KDM4E B2RXH2 3/20 0.40
MAPT P10636 1/20 0.40
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.35
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
MCL1 Q07820 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4071126 0.81 ALDH1A1 (0.54) ALDH1A1HPGDCYP1A2HSD17B10THRB
SCHEMBL23698267 0.80 HSD17B10 (0.43) ALDH1A1HPGDCYP1A2HSD17B10THRB
SCHEMBL6542121 0.79 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A2HSD17B10THRB
SCHEMBL14842334 0.78 ALDH1A1 (0.39) ALDH1A1HPGDCYP1A2HSD17B10THRB
SCHEMBL5682827 0.76 ALDH1A1 (0.52) ALDH1A1HPGDCYP1A2HSD17B10THRB
SCHEMBL2025750 0.75 PABPC1 (0.49) ALDH1A1HPGDCYP1A2HSD17B10THRB
Carbon Dioxide SCHEMBL28099938 0.73 ALDH1A1 (0.57) ALDH1A1HPGDCYP1A2HSD17B10THRB
SCHEMBL9745919 0.72 ALDH1A1 (0.71) ALDH1A1HPGDCYP1A2HSD17B10THRB
SCHEMBL9229468 0.72 KDM4E (0.59) ALDH1A1HPGDCYP1A2HSD17B10THRB
SCHEMBL3745502 0.72 ALDH1A1 (0.52) ALDH1A1HPGDCYP1A2HSD17B10THRB

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-20090156827-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS AND ORGANIC ELECTROLUMINESCENT ELEMENT TOYO INK MFG. CO., LTD. (JP) 2009-06-18 US disclosed
EP-2025733-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT TOYO INK MFG. CO., LTD. (JP) 2009-02-18 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-20090156827-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS AND ORGANIC ELECTROLUMINESCENT ELEMENT ELP1, ELAVL1, ELF3 ALDH1A1 1089/4885HPGD 4218/4885CYP1A2 2228/4885

“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.