SCHEMBL14727463

SCHEMBL14727463

COc1ccc(-c2cc3cc4c(cc(-c5ccc(OC)cc5)c5c6c(ccc54)-c4ccccc4C6(C)C)cc3c3ccc4c(c23)C(C)(C)c2ccccc2-4)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.42
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
BCR P11274 1/20 0.40
PGR P06401 1/20 0.38
ACACA Q13085 1/20 0.37
GPR84 Q9NQS5 1/20 0.35
BACE1 P56817 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
RAB9A P51151 1/20 0.34
ACHE P22303 2/20 0.34
PPARG P37231 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 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
SCHEMBL14725620 0.96 PDK2 (0.39) PDK2ABL1ABCB1BCRPGR
SCHEMBL14725791 0.82 PDK2 (0.32) PDK2
SCHEMBL14725774 0.80 PDK2 (0.43) PDK2BACE1PTGS2
SCHEMBL15461874 0.80 PDK2 (0.36) PDK2KMT2AMEN1NPC1RAB9A
SCHEMBL28151759 0.79 ABL1 (0.50) PDK2ABL1ABCB1BCRPGR
SCHEMBL14725800 0.78 ALOX5 (0.35) RAB9AMAPT
SCHEMBL14727507 0.78 ABL1 (0.42) PDK2ABL1ABCB1BCRPGR
SCHEMBL14725780 0.78 CYP11B1 (0.43) PDK2GPR84RAB9AMAPTPTGS2
SCHEMBL14725775 0.78 NPC1 (0.36) NPC1RAB9A
SCHEMBL14725792 0.77 HSP90AA1 (0.35) PGRKMT2AMEN1NPC1RAB9A

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-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 1354/4885ABL1 4037/4885ABCB1 503/4885

“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.