SCHEMBL23959765

SCHEMBL23959765

CC(C)(C)c1cc(-c2cccc(-c3nc(-c4cccc(C5CCCCC5)c4)nc(-c4cccc(C5CCCCC5)c4)n3)c2)cc(-c2cc(C3CCCCC3)cc(C3CCCCC3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.40
CTSS P25774 3/20 0.39
CTSK P43235 3/20 0.39
CASP3 P42574 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP6 Q9GZR1 2/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
KIF11 P52732 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP11B2 P19099 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 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
SCHEMBL23959688 0.94 TDP1 (0.42) KMOCASP3SENP7SENP6RXRA
SCHEMBL23959764 0.93 RXRA (0.40) CTSSCTSKCASP3SENP7SENP6
SCHEMBL23959689 0.93 CYP3A4 (0.39) CASP3SENP7SENP6RXRARXRB
SCHEMBL23959767 0.90 RXRA (0.40) CTSSCTSKCASP3SENP7SENP6
SCHEMBL23959725 0.89 KMO (0.47) KMOCTSSCTSKCASP3SENP7
SCHEMBL23959686 0.89 RXRA (0.41) CASP3SENP7SENP6RXRARXRB
SCHEMBL25822992 0.85 KMO (0.51) KMOCTSSCTSKCASP3SENP7
SCHEMBL23959685 0.82 TDP1 (0.50) KMOCASP3SENP7SENP6TDP1
SCHEMBL23959651 0.82 TDP1 (0.50) KMOCASP3SENP7SENP6TDP1
SCHEMBL23928347 0.82 TDP1 (0.50) KMOCASP3SENP7SENP6TDP1

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 KMO 571/4885CTSS 4052/4885CTSK 4328/4885

“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.