Sugi Predict

Sugi Predict / Compounds / SCHEMBL9604005

SCHEMBL9604005

SCHEMBL9604005

CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5c(-c6ccc(-c7nc8ccccc8o7)cc6)cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c4c3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.40
▸ RAB9A P51151 8/20 0.40
▸ KDM4E B2RXH2 7/20 0.40
▸ HPGD P15428 7/20 0.40
▸ SMN1; SMN2 Q16637 6/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ CASP3 P42574 2/20 0.40
▸ SENP8 Q96LD8 2/20 0.40
▸ SENP7 Q9BQF6 2/20 0.40
▸ SENP6 Q9GZR1 2/20 0.40
▸ USP2 O75604 2/20 0.40
▸ HCRTR1 O43613 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 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
SCHEMBL9604009 0.90 NPC1 (0.41) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL8281495 0.87 ALDH1A1 (0.36) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL9604007 0.87 NPC1 (0.38) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL24557128 0.85 NPC1 (0.48) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL19846124 0.85 NPC1 (0.50) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL8281415 0.85 HPGD (0.39) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL24570264 0.84 NPC1 (0.46) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL24556992 0.84 NPC1 (0.46) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL24570721 0.83 NPC1 (0.49) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL24570453 0.83 NPC1 (0.46) NPC1RAB9AKDM4EHPGDSMN1; SMN2

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 3002/4885KDM4E 2142/4885

“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.