SCHEMBL3283553

SCHEMBL3283553

Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(B(O)O)c3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL31020817 0.85 CA4 (0.39) CA2ALDH1A1TSHRCYP2C19ORAI1
SCHEMBL13948917 0.85 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C19KEAP1NFE2L2
SCHEMBL29361771 0.85 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C19KEAP1NFE2L2
SCHEMBL1261345 0.85 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C19KEAP1NFE2L2
SCHEMBL14505817 0.83 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C19KEAP1NFE2L2
SCHEMBL13948903 0.83 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C19KEAP1NFE2L2
SCHEMBL13948913 0.83 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C19KEAP1NFE2L2
SCHEMBL29444816 0.81 CYP2C19 (0.44) ALDH1A1TSHRCYP2C19MEN1KMT2A
SCHEMBL13250597 0.81 CYP2C19 (0.44) ALDH1A1TSHRCYP2C19MEN1KMT2A
SCHEMBL12831507 0.81 CYP2C19 (0.44) ALDH1A1TSHRCYP2C19MEN1KMT2A

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-7709104-B2 Aminoanthryl derivative-substituted pyrene compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2010-05-04 US disclosed
US-20060115678-A1 Aminoanthryl derivative-substituted pyrene compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2006-06-01 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-20060115678-A1 Aminoanthryl derivative-substituted pyrene compound and organic light-emitting device ALAD, PAH, PPOX CA2 3873/4885LPL 2024/4885LIPG 3625/4885

“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.