SCHEMBL12844652

SCHEMBL12844652

CC(C)(C)c1ccc2oc(-c3cc(-c4ccc(C#N)cc4)c4ccc5ccc(-c6ccc(C#N)cc6)c6ccc3c4c56)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.39
▸ CETP P11597 7/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ HSPD1 P10809 1/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ PTPN5 P54829 1/20 0.38
▸ HSPE1 P61604 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ CSNK1D P48730 1/20 0.36
▸ CSNK1G2 P78368 1/20 0.36
▸ PGR P06401 1/20 0.34
▸ F2RL3 Q96RI0 3/20 0.34

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
SCHEMBL12777054 0.93 HDAC6 (0.37) NPC1RAB9AGFERHDAC6CETP
SCHEMBL12777070 0.88 ALDH1A1 (0.45) NPC1RAB9AGFERHDAC6PTPN2
SCHEMBL12777214 0.85 NPC1 (0.53) NPC1RAB9AGFERHDAC6HDAC3
SCHEMBL12777017 0.85 NPC1 (0.55) NPC1RAB9AGFERHDAC6HDAC3
SCHEMBL12777077 0.85 NPC1 (0.42) NPC1RAB9AGFERHDAC6PTPN2
SCHEMBL12844736 0.83 NPC1 (0.43) NPC1RAB9AHDAC6HSPD1PTPN2
SCHEMBL12777195 0.82 ALDH1A1 (0.48) NPC1RAB9AGFERHDAC6PTPN2
SCHEMBL12777010 0.82 ALDH1A1 (0.50) NPC1RAB9AGFERHDAC6PTPN2
SCHEMBL12777076 0.82 MAPT (0.41) NPC1RAB9AGFERHDAC6PTPN2
SCHEMBL12776893 0.81 HPGD (0.45) NPC1RAB9AGFERHDAC6HDAC3

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-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

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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