SCHEMBL19726341

SCHEMBL19726341

CC1(C)c2ccccc2-c2ccc(-c3cccnc3)cc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.63
CYP11B1 P15538 6/20 0.49
CYP11B2 P19099 6/20 0.49
CYP19A1 P11511 4/20 0.49
CYP17A1 P05093 2/20 0.49
TDP2 O95551 2/20 0.47
CYP1A2 P05177 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2A6 P11509 1/20 0.46
BACE1 P56817 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDM1A O60341 1/20 0.43
MEN1 O00255 1/20 0.42
PSIP1 O75475 1/20 0.42
AXL P30530 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
PTGS2 P35354 1/20 0.42
KIF11 P52732 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
SCHEMBL13388938 1.00 PDK2 (0.63) PDK2CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL12865732 0.97 PDK2 (0.60) PDK2CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL22414197 0.96 PDK2 (0.59) PDK2CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL24492890 0.96 PDK2 (0.59) PDK2CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL13388789 0.94 PDK2 (0.57) PDK2CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL22428443 0.93 PDK2 (0.56) PDK2CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL13388800 0.92 PDK2 (0.56) PDK2CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL30601298 0.91 PDK2 (0.56) PDK2CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL22037471 0.91 PDK2 (0.54) PDK2CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL22037934 0.91 PDK2 (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473517-A Compounds and organic luminescent device comprising it 东进世美肯株式会社 2018-08-31 CN disclosed
US-20170365794-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-12-21 US disclosed
US-20170365794-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-12-21 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-20170365794-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNA1 PDK2 1588/4885CYP11B1 445/4885CYP11B2 697/4885

“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.