SCHEMBL23959686

SCHEMBL23959686

CC(C)(C)c1cc(-c2cccc(-c3nc(-c4ccc(C5CCCCC5)cc4)nc(-c4ccc(C5CCCCC5)cc4)n3)c2)cc(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.41
RXRB P28702 3/20 0.41
S1PR1 P21453 4/20 0.39
S1PR5 Q9H228 1/20 0.39
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
DHODH Q02127 1/20 0.36
KIF11 P52732 1/20 0.35
RAF1 P04049 1/20 0.35
TP53 P04637 2/20 0.35
RXRG P48443 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL23959689 0.96 CYP3A4 (0.39) RXRARXRBS1PR1S1PR5CASP3
SCHEMBL23959764 0.94 RXRA (0.40) RXRARXRBS1PR1S1PR5CASP3
SCHEMBL23959762 0.93 RXRA (0.36) RXRARXRBS1PR1S1PR5CASP3
SCHEMBL23959767 0.91 RXRA (0.40) RXRARXRBS1PR1S1PR5CASP3
SCHEMBL23959750 0.91 CYP3A4 (0.40) RXRARXRBS1PR1S1PR5CASP3
SCHEMBL23959688 0.90 TDP1 (0.42) RXRARXRBCASP3SENP7SENP6
SCHEMBL23959765 0.89 KMO (0.40) RXRARXRBCASP3SENP7SENP6
SCHEMBL23959748 0.85 S1PR1 (0.45) S1PR1S1PR5CASP3SENP7SENP6
SCHEMBL23959687 0.85 S1PR1 (0.45) S1PR1S1PR5CASP3SENP7SENP6
SCHEMBL23959749 0.85 S1PR1 (0.47) S1PR1S1PR5CASP3SENP7SENP6

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 RXRA 2544/4885RXRB 3264/4885S1PR1 2879/4885

“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.