SCHEMBL23959732

SCHEMBL23959732

CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2ccnc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(C(C)(C)C)c3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2E1 P05181 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2A6 P11509 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP4B1 P13584 1/20 0.51
CYP2B6 P20813 1/20 0.51
CYP3A5 P20815 1/20 0.51
CYP2A7 P20853 1/20 0.51
CYP3A7 P24462 1/20 0.51
CYP2F1 P24903 1/20 0.51
CYP2C18 P33260 1/20 0.51
CYP2C19 P33261 1/20 0.51
CYP2J2 P51589 1/20 0.51
CYP4F2 P78329 1/20 0.51
CYP4F8 P98187 1/20 0.51
CYP4A11 Q02928 1/20 0.51

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
SCHEMBL28647094 0.79 MAPT (0.40) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL28656155 0.75 KDM4E (0.53) CYP2A6MAPTKDM4EGAAS1PR1
SCHEMBL23959695 0.74 RXRB (0.50) MAPTKDM4EGAAS1PR1S1PR3
SCHEMBL23928340 0.72 RXRB (0.53) MAPTKDM4EGAAS1PR1S1PR3
SCHEMBL23959649 0.72 MAPT (0.51) CYP2C19MAPTKDM4EGAARXRB
SCHEMBL23959627 0.72 RXRB (0.53) MAPTKDM4EGAAS1PR1S1PR3
SCHEMBL23959743 0.72 CYP1A1 (0.44) CYP1A1CYP1B1MAPTKDM4EGAA
SCHEMBL28303895 0.72 CYP1A1 (0.59) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL26230931 0.72 GABRA1 (0.55) MAPTKDM4EGAAS1PR1S1PR3
SCHEMBL23928363 0.71 MAPT (0.55) MAPTKDM4EGAAS1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP1A1 769/4885CYP1A2 683/4885CYP2E1 1007/4885

“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.