SCHEMBL834764

SCHEMBL834764

CC1(C)c2ccccc2-c2ccc(-c3cc4nc(-c5ccc(-c6ccc(-c7ccc(-c8ccccn8)nc7-c7ccc(-c8ccc(-c9nc%10cc(-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)c(-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)cc%10o9)cc8)cc7)cc6)cc5)oc4cc3-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.39
RAB9A P51151 8/20 0.39
HSD17B10 Q99714 7/20 0.39
SMN1; SMN2 Q16637 7/20 0.39
KDM4E B2RXH2 7/20 0.39
TP53 P04637 6/20 0.39
HPGD P15428 6/20 0.39
ALDH1A1 P00352 5/20 0.39
PKM P14618 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDK2 Q15119 1/20 0.35
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC2 Q92769 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL834159 0.91 SMN1; SMN2 (0.38) NPC1RAB9AHSD17B10SMN1; SMN2KDM4E
SCHEMBL835237 0.87 SMN1; SMN2 (0.35) NPC1RAB9AHSD17B10SMN1; SMN2KDM4E
SCHEMBL834207 0.86 SMN1; SMN2 (0.43) NPC1RAB9AHSD17B10SMN1; SMN2KDM4E
SCHEMBL834153 0.86 SMN1; SMN2 (0.43) NPC1RAB9AHSD17B10SMN1; SMN2KDM4E
SCHEMBL834838 0.86 NPC1 (0.48) NPC1RAB9AHSD17B10SMN1; SMN2KDM4E
SCHEMBL835361 0.86 NPC1 (0.48) NPC1RAB9AHSD17B10SMN1; SMN2KDM4E
SCHEMBL834154 0.85 PDK2 (0.35) RAB9AHSD17B10SMN1; SMN2KDM4ETP53
SCHEMBL835104 0.84 SMN1; SMN2 (0.40) NPC1RAB9AHSD17B10SMN1; SMN2KDM4E
SCHEMBL834761 0.84 HSD17B10 (0.42) NPC1RAB9AHSD17B10SMN1; SMN2KDM4E
SCHEMBL834217 0.83 SMN1; SMN2 (0.41) NPC1RAB9AHSD17B10SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9209408-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-12-08 US disclosed
US-9209408-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-12-08 US disclosed
US-20130261304-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-03 US disclosed
US-20130261304-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-10-03 US disclosed
US-8450485-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-28 US disclosed
US-8450485-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2013-05-28 US disclosed
US-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-07-12 US disclosed
US-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-07-12 US disclosed
US-8142911-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-27 US disclosed
US-8142911-B2 Organic compound, benzoxazole derivative, and light-emitting element, light-emitting device, and electronic device using the benzoxazole derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-27 US disclosed
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-11-19 US disclosed
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2009-11-19 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 (2 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-20120178933-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using Benzoxazole Derivative XDH, CYP2C9, CYP4X1 NPC1 4201/4885RAB9A 3557/4885HSD17B10 1425/4885
US-20090284142-A1 Organic Compound, Benzoxazole Derivative, and Light-Emitting Element, light-Emitting Device, and Electronic Device Using the Benzoxazole Derivative XDH, CYP2C9, CYP4X1 NPC1 4220/4885RAB9A 3455/4885HSD17B10 1670/4885

“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.