SCHEMBL5012433

SCHEMBL5012433

Cc1ccccc1[N]c1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
CYP2A6 P11509 5/20 0.58
CYP1A2 P05177 7/20 0.47
HSD17B10 Q99714 5/20 0.47
HPGD P15428 4/20 0.47
CYP3A4 P08684 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALOX15 P16050 2/20 0.47
ABCB11 O95342 1/20 0.47
NR3C1 P04150 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADRA2C P18825 1/20 0.47
MAOA P21397 1/20 0.47
DRD1 P21728 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR2B P41595 1/20 0.47
CCR2 P41597 1/20 0.47
TSHR P16473 2/20 0.43
CHAT P28329 1/20 0.41

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
SCHEMBL49212 0.87 ALDH1A1 (0.58) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL5143493 0.82 ALDH1A1 (0.46) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL702526 0.82 TSHR (0.53) ALDH1A1CYP2A6CYP1A2HPGDCYP3A4
SCHEMBL6541655 0.77 HPRT1 (0.61) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL5145155 0.76 RAB9A (0.51) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL2254008 0.75 SIGMAR1 (0.49) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL29903166 0.74 CYP2A6 (1.00) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL10684163 0.74 CYP2A6 (1.00) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL7517852 0.74 CYP2A6 (1.00) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD
SCHEMBL3075 0.74 CYP2A6 (1.00) ALDH1A1CYP2A6CYP1A2HSD17B10HPGD

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-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed
US-7232617-B2 Electroluminescent devices CITYU RESEARCH LIMITED (CN) 2007-06-19 US disclosed
US-6833202-B2 Luminescent layer uses as salicylaldiminato Schiff bases or their metal complexes based on diaminomaleonitrile and salicylaldehyde derivatives as red-emitting materials; color chromaticity CITY UNIVERSITY OF HONG KONG (CN) 2004-12-21 US disclosed
US-20040180234-A1 Electroluminescent devices HONG KONG, CITY UNIVERSITY OF (CN) 2004-09-16 US disclosed
US-20040151943-A1 Electroluminescent devices INTELLECTUAL VENTURES II LLC 2004-08-05 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 (2 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-20040180234-A1 Electroluminescent devices SLC25A13, AOC1, DDT ALDH1A1 37/4885CYP2A6 3397/4885CYP1A2 2986/4885
US-20040151943-A1 Electroluminescent devices SLCO2B1, SLCO2A1, HAX1 ALDH1A1 560/4885CYP2A6 1895/4885CYP1A2 1073/4885

“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.