SCHEMBL21970803

SCHEMBL21970803

Cc1ccccc1-c1cc(-c2ccccc2)ccc1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc2c(c1)C(C)(C)c1ccccc1-2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 12/20 0.37
▸ SLC6A9 P48067 1/20 0.35
▸ PGR P06401 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ PTBP1 P26599 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GALK1 P51570 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ SMAD3 P84022 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL22567763 1.00 PDK2 (0.37) PDK2SLC6A9PGRMEN1APAF1
SCHEMBL22567849 0.99 PDK2 (0.36) PDK2SLC6A9PGRMEN1APAF1
SCHEMBL22567854 0.99 PDK2 (0.36) PDK2SLC6A9PGRMEN1APAF1
SCHEMBL22567682 0.96 PDK2 (0.35) PDK2SLC6A9PGRMEN1APAF1
SCHEMBL22568013 0.95 PDK2 (0.34) PDK2SLC6A9PGRMEN1APAF1
SCHEMBL22568059 0.94 PDK2 (0.34) PDK2SLC6A9PGRMEN1APAF1
SCHEMBL21970814 0.94 PDK2 (0.41) PDK2SLC6A9PGR
SCHEMBL22517508 0.93 PDK2 (0.44) PDK2MCL1
SCHEMBL22568011 0.92 ESR1 (0.33) PDK2SLC6A9
SCHEMBL24860510 0.90 PDK2 (0.38) PDK2SLC6A9PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11744145-B2 Organic compound and organic electroluminescent device comprising the same LG DISPLAY CO., LTD. (KR) 2023-08-29 — — US disclosed
US-11744145-B2 Organic compound and organic electroluminescent device comprising the same LG DISPLAY CO., LTD. (KR) 2023-08-29 — — US disclosed
US-20200321525-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME MATERIAL SCIENCE CO., LTD. (KR) 2020-10-08 — — US disclosed
US-20200144506-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME MATERIAL SCIENCE CO., LTD. (KR) 2020-05-07 — — 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-20200321525-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME OR10J3, OR51E2, ORC3 PDK2 1406/4885SLC6A9 2277/4885PGR 3086/4885

“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.

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