SCHEMBL23959644

SCHEMBL23959644

CC(C)(C)c1cc(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(-c3cc(-c4cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c4)nc(C(C)(C)C)n3)c2)cc(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
RXRB P28702 8/20 0.38
RXRA P19793 7/20 0.38
RXRG P48443 4/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 1/20 0.36
KIF11 P52732 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL22853058 0.96 KDM4E (0.47) KDM4EGAAMAPTRXRBRXRA
SCHEMBL22853056 0.81 KDM4E (0.52) KDM4EGAAMAPTRXRBRXRA
SCHEMBL16940870 0.78 MEN1 (0.44) KDM4EMAPTPOLB
SCHEMBL23928340 0.78 RXRB (0.53) KDM4EGAAMAPTRXRBRXRA
SCHEMBL23959627 0.78 RXRB (0.53) KDM4EGAAMAPTRXRBRXRA
SCHEMBL23928344 0.78 MEN1 (0.47) KDM4EGAAMAPTRXRBRXRA
SCHEMBL23959743 0.78 CYP1A1 (0.44) KDM4EGAAMAPTRXRBRXRA
SCHEMBL26230931 0.78 GABRA1 (0.55) KDM4EGAAMAPTRXRBRXRA
SCHEMBL23729372 0.77 RXRB (0.51) KDM4EGAAMAPTRXRBRXRA
SCHEMBL23959632 0.77 RXRB (0.51) KDM4EGAAMAPTRXRBRXRA

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 KDM4E 4238/4885GAA 4247/4885MAPT 1456/4885

“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.