SCHEMBL9603994

SCHEMBL9603994

CC(C)(C)c1ccc2oc3c(-c4ccc(-c5nc6ccccc6o5)cc4)cc(C(C)(C)C)cc3c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.49
RAB9A P51151 8/20 0.49
GFER P55789 1/20 0.49
TP53 P04637 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
KDM4E B2RXH2 5/20 0.42
HPGD P15428 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL9604008 0.89 NPC1 (0.50) NPC1RAB9AGFERTP53MEN1
SCHEMBL8281404 0.83 S1PR1 (0.47) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL9603980 0.81 NPC1 (0.58) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL9603914 0.80 NPC1 (0.44) NPC1RAB9AGFERTP53MEN1
SCHEMBL9604003 0.79 NPC1 (0.49) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL9603992 0.79 NPC1 (0.49) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL3288401 0.79 NPC1 (0.64) NPC1RAB9AGFERTP53MEN1
SCHEMBL31027964 0.79 NPC1 (0.64) NPC1RAB9AGFERTP53MEN1
SCHEMBL9604010 0.79 NPC1 (0.54) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL9604004 0.78 NPC1 (0.48) NPC1RAB9ATP53MEN1KMT2A

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-8546584-B2 Benzoxazole derivative, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-01 US disclosed
US-8546584-B2 Benzoxazole derivative, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-01 US disclosed
US-20120132896-A1 Benzoxazole Derivative, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD 2012-05-31 US disclosed
US-20120132896-A1 Benzoxazole Derivative, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD 2012-05-31 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-20120132896-A1 Benzoxazole Derivative, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device XDH, AOX1, CYP4X1 NPC1 4611/4885RAB9A 3002/4885GFER 594/4885

“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.