SCHEMBL29293131

SCHEMBL29293131

c1cncc(-c2ccc(-c3ccc(-c4cccc5c4sc4c(-c6ccc(-c7ccc(-c8cccnc8)cc7)cc6)cccc45)cc3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.50
CYP3A4 P08684 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
MKNK1 Q9BUB5 4/20 0.49
MKNK2 Q9HBH9 4/20 0.49
CYP11B2 P19099 2/20 0.45
KIF11 P52732 1/20 0.45
CYP11B1 P15538 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
LIMK1 P53667 1/20 0.42
PIK3CA P42336 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
PSIP1 O75475 1/20 0.42

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
SCHEMBL29293124 1.00 CYP2A6 (0.50) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL29293033 0.97 CYP2A6 (0.47) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL29293017 0.97 CYP2A6 (0.47) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL29293091 0.97 CYP2A6 (0.47) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL29293032 0.97 CYP2A6 (0.47) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL29293113 0.95 LIMK1 (0.46) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL29293139 0.95 PTGS2 (0.49) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL29293057 0.95 CYP2A6 (0.46) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL29293154 0.94 CYP2A6 (0.44) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL29293076 0.93 ALDH1A1 (0.43) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1

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 1839/4885CYP3A4 189/4885ALDH1A1 249/4885

“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.