SCHEMBL835185

SCHEMBL835185

c1ccc(C2(c3ccccc3)c3cc(-c4ccc(-c5ccc(-c6ccccn6)nc5-c5ccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6cc(-c8nc9ccccc9o8)ccc6-7)cc5)cc4)ccc3-c3ccc(-c4nc5ccccc5o4)cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.46
RAB9A P51151 10/20 0.46
ALDH1A1 P00352 10/20 0.46
SMN1; SMN2 Q16637 9/20 0.46
KDM4E B2RXH2 9/20 0.46
HSD17B10 Q99714 9/20 0.46
TP53 P04637 9/20 0.46
HPGD P15428 9/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HCRTR1 O43613 3/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL834841 0.94 NPC1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL834477 0.91 NPC1 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL835361 0.89 NPC1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL834247 0.87 KDM4E (0.53) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL835164 0.87 NPC1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL835237 0.86 SMN1; SMN2 (0.35) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL834243 0.86 NPC1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL834482 0.86 NPC1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL834330 0.86 NPC1 (0.59) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL834337 0.86 NPC1 (0.59) NPC1RAB9AALDH1A1SMN1; 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 3557/4885ALDH1A1 163/4885
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 3455/4885ALDH1A1 172/4885

“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.