SCHEMBL12777067

SCHEMBL12777067

CC(C)(C)c1ccc2oc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4ccc5c(-c6ccc(-c7ccccc7)cc6)cc(-c6ccc(-c7ccccc7)cc6)c6ccc3c4c56)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.48
▸ RAB9A P51151 6/20 0.48
▸ GFER P55789 1/20 0.48
▸ KDM4E B2RXH2 5/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ CASP3 P42574 3/20 0.44
▸ SENP7 Q9BQF6 3/20 0.44
▸ SENP6 Q9GZR1 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ SENP8 Q96LD8 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41

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
SCHEMBL12777017 0.93 NPC1 (0.55) NPC1RAB9AGFERKDM4ESMN1; SMN2
SCHEMBL12777010 0.89 ALDH1A1 (0.50) NPC1RAB9AGFERKDM4ESMN1; SMN2
SCHEMBL12777155 0.87 NPC1 (0.41) NPC1RAB9AGFERKDM4ESMN1; SMN2
SCHEMBL12776975 0.87 KDM4E (0.50) NPC1RAB9AGFERKDM4ESMN1; SMN2
SCHEMBL12777020 0.85 RAB9A (0.53) NPC1RAB9AGFERKDM4ESMN1; SMN2
SCHEMBL12777070 0.84 ALDH1A1 (0.45) NPC1RAB9AGFERKDM4ESMN1; SMN2
SCHEMBL12777027 0.84 MAPT (0.52) NPC1RAB9AGFERKDM4ESMN1; SMN2
SCHEMBL12776998 0.84 MAPT (0.43) NPC1RAB9AGFERKDM4ESMN1; SMN2
SCHEMBL3288218 0.84 NPC1 (0.66) NPC1RAB9AGFERKDM4ESMN1; SMN2
SCHEMBL12777227 0.83 NPC1 (0.48) NPC1RAB9AGFERKDM4ESMN1; SMN2

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-7901794-B2 Material for light-emitting element and light emitting element TORAY INDUSTRIES, INC. (JP) 2011-03-08 — — US disclosed
US-7901794-B2 Material for light-emitting element and light emitting element TORAY INDUSTRIES, INC. (JP) 2011-03-08 — — US disclosed
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2009-03-12 — — US disclosed
US-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2009-03-12 — — 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-20090066245-A1 MATERIAL FOR LIGHT-EMITTING ELEMENT AND LIGHT EMITTING ELEMENT PYM1, CRY1, S100A10 NPC1 2742/4885RAB9A 3169/4885GFER 3354/4885

“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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