Sugi Predict

Sugi Predict / Compounds / SCHEMBL23928335

SCHEMBL23928335

SCHEMBL23928335

CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)cc(-c2cccnc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.50
▸ LPL P06858 5/20 0.41
▸ LIPG Q9Y5X9 5/20 0.41
▸ CYP2A6 P11509 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ PSIP1 O75475 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ CYP19A1 P11511 2/20 0.34
▸ CYP11B1 P15538 2/20 0.34
▸ CYP11B2 P19099 2/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ DYRK1B Q9Y463 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ FFAR1 O14842 1/20 0.34

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
SCHEMBL5529453 0.87 LPL (0.49) KIF11LPLLIPGCYP2A6ALDH1A1
SCHEMBL5527589 0.85 LIPG (0.46) LPLLIPGCYP2A6ALDH1A1CYP1A2
SCHEMBL21311948 0.85 LIPG (0.46) LPLLIPGCYP2A6ALDH1A1CYP1A2
SCHEMBL12129647 0.83 LIPG (0.45) LPLLIPGCYP2A6ALDH1A1CYP1A2
SCHEMBL23909384 0.83 LPL (0.41) LPLLIPGFFAR1MAPT
SCHEMBL29416738 0.83 LPL (0.41) LPLLIPGFFAR1MAPT
SCHEMBL23928352 0.81 LPL (0.40) LPLLIPGFFAR1MAPT
SCHEMBL5531896 0.81 LIPG (0.54) KIF11LPLLIPGCYP2A6ALDH1A1
SCHEMBL5527674 0.81 LIPG (0.45) LPLLIPGCYP2A6ALDH1A1CYP1A2
SCHEMBL5533629 0.81 LIPG (0.45) LPLLIPGCYP2A6ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563269-A Material for light-emitting device and electron-transporting layer, organic compound, light-emitting device, electronic device, and lighting device 株式会社半导体能源研究所 2021-10-29 — — CN disclosed
US-20210336151-A1 Light-Emitting Device Material, Electron-Transport Layer Material, Organic Compound, Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2021-10-28 — — US disclosed
US-20210336151-A1 Light-Emitting Device Material, Electron-Transport Layer Material, Organic Compound, Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2021-10-28 — — 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-20210336151-A1 Light-Emitting Device Material, Electron-Transport Layer Material, Organic Compound, Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, and Lighting Device SPIN3, SLC39A3, SKIC3 KIF11 3007/4885LPL 3588/4885LIPG 4481/4885

“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.