SCHEMBL834201

SCHEMBL834201

CCC(C)c1ccc(C(C)CC)c2oc(-c3ccc(-c4ccc(-c5ccc(-c6ccccn6)nc5-c5ccc(-c6ccc(-c7nc8c(C(C)CC)ccc(C(C)CC)c8o7)cc6)cc5)cc4)cc3)nc12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.32
PKM P14618 2/20 0.32
HSD17B10 Q99714 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
KLF5 Q13887 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PADI1 Q9ULC6 1/20 0.32
PADI3 Q9ULW8 1/20 0.32
PADI4 Q9UM07 1/20 0.32
PADI2 Q9Y2J8 1/20 0.32
S1PR1 P21453 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL835209 0.88 TP53 (0.34) TP53PKMHSD17B10RAB9AKDM4E
SCHEMBL834735 0.82 HSD17B10 (0.39) TP53PKMHSD17B10RAB9AKDM4E
SCHEMBL835094 0.80 RAB9A (0.33) TP53PKMHSD17B10RAB9AKDM4E
SCHEMBL834149 0.80 PADI1 (0.36) TP53PKMHSD17B10RAB9AKDM4E
SCHEMBL834380 0.79 TP53 (0.38) TP53PKMHSD17B10RAB9AKDM4E
SCHEMBL835088 0.79 PKM (0.38) TP53PKMHSD17B10RAB9AKDM4E
SCHEMBL834734 0.78 ESR1 (0.36) TP53PKMHSD17B10RAB9AKDM4E
SCHEMBL835099 0.78 SMN1; SMN2 (0.43) TP53PKMHSD17B10RAB9AKDM4E
SCHEMBL835222 0.78 SMN1; SMN2 (0.43) TP53PKMHSD17B10RAB9AKDM4E
SCHEMBL10126047 0.78 TDP1 (0.36) TP53HSD17B10RAB9AKDM4EALDH1A1

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 10 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-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 TP53 4877/4885PKM 1230/4885HSD17B10 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 TP53 4875/4885PKM 1311/4885HSD17B10 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.