SCHEMBL25789546

SCHEMBL25789546

CC1(C)c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)ccc2-c2ccc(-c3nc4ccccn4c3C#N)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ AKT1 P31749 2/20 0.34
▸ AKT2 P31751 2/20 0.34
▸ ADRA1B P35368 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TOP2A P11388 1/20 0.31
▸ PGR P06401 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
SCHEMBL25789153 0.86 NPC1 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL25789524 0.86 NPC1 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL25789456 0.83 AKT1 (0.48) NPC1RAB9AAKT1AKT2ADRA1B
SCHEMBL25789286 0.82 AKT1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL24479411 0.82 AKT1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL25789228 0.81 AKT1 (0.45) NPC1RAB9AAKT1AKT2ADRA1B
SCHEMBL25789549 0.80 AKT1 (0.34) NPC1RAB9AALDH1A1AKT1AKT2
SCHEMBL24479450 0.80 AKT1 (0.45) NPC1RAB9ASMN1; SMN2KMT2AAKT1
SCHEMBL22674195 0.79 AKT1 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL24479166 0.79 AKT1 (0.48) NPC1RAB9ASMN1; SMN2AKT1AKT2

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
US-20230217820-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-07-06 — — US disclosed
US-20230217820-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-07-06 — — 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-20230217820-A1 PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TELO2, SOD1, TERT NPC1 3704/4885RAB9A 2202/4885ALDH1A1 687/4885

“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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