SCHEMBL16852542

SCHEMBL16852542

Cc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7ccccc7c6)cc5)cc4)cc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.37
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL13137313 0.97 L3MBTL1 (0.37) PDK2HTTNPSR1L3MBTL1SMN1; SMN2
SCHEMBL17402607 0.94 HTT (0.39) PDK2ESR1ESR2HTTNPSR1
SCHEMBL16852527 0.93 PDK2 (0.41) PDK2ESR1ESR2SMN1; SMN2KDM4E
SCHEMBL25815148 0.93 PDK2 (0.41) PDK2ESR1ESR2SMN1; SMN2KDM4E
SCHEMBL16852534 0.92 PDK2 (0.40) PDK2ESR1ESR2SMN1; SMN2KDM4E
SCHEMBL17805085 0.92 PDK2 (0.42) PDK2ESR1ESR2NPSR1SMN1; SMN2
SCHEMBL17970835 0.92 MEN1 (0.36) PDK2ESR1ESR2SMN1; SMN2KDM4E
SCHEMBL17465482 0.92 PDK2 (0.42) PDK2ESR1ESR2L3MBTL1SMN1; SMN2
SCHEMBL17690872 0.92 MEN1 (0.36) PDK2ESR1ESR2SMN1; SMN2KDM4E
SCHEMBL21559050 0.91 PDK2 (0.34) PDK2ESR1ESR2SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170194569-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-06 — — US disclosed
US-20170194569-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-06 — — US disclosed
US-20170186969-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-29 — — US disclosed
US-20170186969-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-29 — — US disclosed
US-20170186978-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-29 — — US disclosed
US-20170186978-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-29 — — US disclosed
US-9595681-B2 Compounds and organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-03-14 — — US disclosed
US-9595681-B2 Compounds and organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-03-14 — — US disclosed
EP-2875092-B1 COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-02-15 — — EP disclosed
US-20150179953-A1 COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-06-25 — — US disclosed
US-20150179953-A1 COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-06-25 — — 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-20150179953-A1 COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES AFF2, ETV6, PEF1 PDK2 1521/4885ESR1 65/4885ESR2 300/4885

“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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