SCHEMBL23600770

SCHEMBL23600770

CC1(C)c2ccccc2-c2ccc(Nc3ccccc3-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
PDK2 Q15119 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
MDH1 P40925 1/20 0.32
MDH2 P40926 1/20 0.32
CNR2 P34972 2/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL23600757 0.93 EPHX2 (0.40) EPHX2NPC1LMNAMAPTMEN1
SCHEMBL22815548 0.88 NPC1 (0.44) EPHX2NPC1LMNAMAPTMEN1
SCHEMBL25125125 0.84 SIGMAR1 (0.39) EPHX2NPC1MEN1KMT2ANPSR1
SCHEMBL23600813 0.83 NPC1 (0.41) EPHX2NPC1LMNAMAPTMEN1
SCHEMBL24969738 0.83 PDK2 (0.39) EPHX2NPC1LMNAMAPTMEN1
SCHEMBL29892124 0.82 PDK2 (0.41) LMNAALDH1A1SMN1; SMN2PDK2
SCHEMBL19163603 0.82 PDK2 (0.41) LMNAALDH1A1SMN1; SMN2PDK2
SCHEMBL25125417 0.82 LMNA (0.38) EPHX2NPC1LMNAMAPTMEN1
SCHEMBL25125137 0.82 PDK2 (0.40) PDK2
SCHEMBL29440305 0.82 PDK2 (0.43) LMNAALDH1A1SMN1; SMN2PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021134820-A1 NEW ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE 南京高光半导体材料有限公司 2021-07-08 WO disclosed
US-20210202843-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE NANJING TOPTO SEMICONDUCTOR MATERIAL CO., LTD. (CN) 2021-07-01 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-20210202843-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE L1CAM, C1S, H1-10 EPHX2 761/4885NPC1 3132/4885LMNA 522/4885

“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.