SCHEMBL14725773

SCHEMBL14725773

CC1(C)c2ccccc2-c2cc3c(-c4ccc(-c5cccnc5)cc4)cc4cc5c(cc(-c6ccc(-c7cccnc7)cc6)c6cc7c(cc65)C(C)(C)c5ccccc5-7)cc4c3cc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.42
CYP11B1 P15538 3/20 0.42
CYP19A1 P11511 3/20 0.38
CYP17A1 P05093 2/20 0.38
CYP11B2 P19099 2/20 0.38
PTGS2 P35354 1/20 0.36
TDP2 O95551 2/20 0.36
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
KIF11 P52732 1/20 0.35
PIK3CA P42336 1/20 0.34
DHODH Q02127 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2A6 P11509 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34
BACE1 P56817 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL14725779 0.94 CYP11B1 (0.48) PDK2CYP11B1CYP19A1CYP17A1CYP11B2
SCHEMBL15461872 0.91 CYP11B1 (0.47) PDK2CYP11B1CYP19A1CYP17A1CYP11B2
SCHEMBL21180643 0.84 CYP11B1 (0.41) PDK2CYP11B1CYP19A1CYP11B2ALDH1A1
SCHEMBL20228661 0.81 PDK2 (0.40) PDK2CYP11B1CYP19A1CYP17A1CYP11B2
SCHEMBL15912226 0.81 CYP11B1 (0.38) PDK2CYP11B1CYP11B2ALDH1A1CYP1A2
SCHEMBL15460275 0.80 PDK2 (0.42) PDK2CYP11B1CYP11B2PTGS2ALDH1A1
SCHEMBL15460196 0.80 PDK2 (0.42) PDK2CYP11B1CYP11B2PTGS2ALDH1A1
SCHEMBL14725774 0.80 PDK2 (0.43) PDK2CYP11B1CYP19A1CYP17A1CYP11B2
SCHEMBL13084004 0.80 PDK2 (0.46) PDK2CYP11B1CYP19A1CYP17A1CYP11B2
SCHEMBL13642826 0.80 PDK2 (0.46) PDK2CYP11B1CYP19A1CYP17A1CYP11B2

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
US-9255084-B2 Heterocyclic compound and organic light-emitting device containing the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-02-09 US disclosed
US-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-02-28 US disclosed
US-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-02-28 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-20130048955-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE SAME TRPC1, TRPC4, TRPC6 PDK2 1354/4885CYP11B1 887/4885CYP19A1 780/4885

“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.