SCHEMBL20073103

SCHEMBL20073103

c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.40
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
ACMSD Q8TDX5 1/20 0.35
GSTP1 P09211 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ALOX5 P09917 2/20 0.34
BACE1 P56817 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 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
SCHEMBL10034358 0.99 PDK2 (0.42) PDK2ESR1ESR2HSD17B1HSD17B2
SCHEMBL17243541 0.97 PDK2 (0.41) PDK2ESR1ESR2HSD17B1HSD17B2
SCHEMBL23179638 0.97 PDK2 (0.38) PDK2ESR1ESR2HSD17B1HSD17B2
SCHEMBL22425475 0.97 ESR1 (0.38) PDK2ESR1ESR2HSD17B1HSD17B2
SCHEMBL24647506 0.97 ESR1 (0.38) PDK2ESR1ESR2HSD17B1HSD17B2
SCHEMBL13634135 0.97 ESR1 (0.38) PDK2ESR1ESR2HSD17B1HSD17B2
SCHEMBL17412441 0.97 ESR1 (0.40) PDK2ESR1ESR2HSD17B1HSD17B2
SCHEMBL21392552 0.97 ESR1 (0.40) PDK2ESR1ESR2HSD17B1HSD17B2
SCHEMBL23179761 0.96 PDK2 (0.37) PDK2ESR1ESR2HSD17B1HSD17B2
SCHEMBL22425652 0.96 PDK2 (0.37) PDK2ESR1ESR2HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230217818-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THEREOF LG DISPLAY CO., LTD. (KR) 2023-07-06 US disclosed
US-20230217818-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THEREOF LG DISPLAY CO., LTD. (KR) 2023-07-06 US disclosed
US-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed
US-20220376178-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2022-11-24 US disclosed
US-20210359223-A1 ORGANIC LIGHT-EMITTING ELEMENT LG CHEM, LTD. (KR) 2021-11-18 US disclosed
EP-3832745-A1 ORGANIC LIGHT-EMITTING ELEMENT LG Chem, Ltd. (KR) 2021-06-09 EP disclosed
WO-2020185059-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2020-09-17 WO disclosed
WO-2018070821-A1 ORGANIC ELECTROLUMINESCENCE DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2018-04-19 WO 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 (2 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-20210359223-A1 ORGANIC LIGHT-EMITTING ELEMENT LAS1L, ARL1, NAP1L4 PDK2 3587/4885ESR1 18/4885ESR2 14/4885
US-20230217818-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THEREOF OCIAD2, OCIAD1, DRD1 PDK2 2046/4885ESR1 890/4885ESR2 1887/4885

“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.