SCHEMBL22037489

SCHEMBL22037489

c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3cccc(-c4cccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c4)c3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.45
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP19A1 P11511 2/20 0.39
CYP17A1 P05093 1/20 0.39
BACE1 P56817 4/20 0.37
KMO O15229 1/20 0.37
KCNH2 Q12809 1/20 0.37
TDP2 O95551 2/20 0.37
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL22037526 1.00 PDK2 (0.45) PDK2CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL22038930 0.99 PDK2 (0.46) PDK2CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL22037545 0.99 PDK2 (0.46) PDK2CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL22039015 0.97 PDK2 (0.46) PDK2CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL22038493 0.96 PDK2 (0.45) PDK2CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL22037917 0.96 PDK2 (0.42) PDK2CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL22037946 0.96 PDK2 (0.46) PDK2CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL22037481 0.94 PDK2 (0.43) PDK2CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL22037528 0.93 PDK2 (0.46) PDK2CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL22037459 0.93 PDK2 (0.48) PDK2CYP11B1CYP11B2CYP19A1CYP17A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200168805-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOOSAN CORPORATION (KR) 2020-05-28 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-20200168805-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ELOVL1, ELOVL6, ELOVL5 PDK2 2857/4885CYP11B1 1693/4885CYP11B2 1415/4885

“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.