SCHEMBL29293154

SCHEMBL29293154

c1cncc(-c2ccc(-c3cccc4c3sc3c(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)cccc34)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MKNK1 Q9BUB5 4/20 0.44
MKNK2 Q9HBH9 4/20 0.44
CYP11B1 P15538 2/20 0.42
PIK3CA P42336 2/20 0.42
MEN1 O00255 1/20 0.41
PSIP1 O75475 1/20 0.41
AXL P30530 1/20 0.41
CYP11B2 P19099 2/20 0.41
CYP19A1 P11511 2/20 0.41
KIF11 P52732 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
CYP17A1 P05093 1/20 0.41
LIMK1 P53667 2/20 0.40
PIK3CD O00329 1/20 0.40
PIP5K1C O60331 1/20 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
SCHEMBL29293057 0.98 CYP2A6 (0.46) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL29293034 0.97 CYP19A1 (0.45) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL29293175 0.97 CYP19A1 (0.45) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL29293182 0.97 CYP19A1 (0.45) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL29293214 0.97 CYP19A1 (0.45) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL29293145 0.97 CYP19A1 (0.45) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL29293178 0.96 CYP19A1 (0.44) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL29293160 0.95 CYP2A6 (0.48) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL29293124 0.94 CYP2A6 (0.50) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1
SCHEMBL29293131 0.94 CYP2A6 (0.50) CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1

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-20240228470-A1 Organic Compound And Organic Light Emitting Device Including Same P&H TECH CO., LTD (KR) 2024-07-11 US disclosed
US-20240228470-A1 Organic Compound And Organic Light Emitting Device Including Same P&H TECH CO., LTD (KR) 2024-07-11 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-20240228470-A1 Organic Compound And Organic Light Emitting Device Including Same OR10J3, ORMDL3, OR51E2 CYP2A6 1839/4885ALDH1A1 249/4885CYP1A2 609/4885

“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.