SCHEMBL23909368

SCHEMBL23909368

CC(C)(C)c1cc(Br)cc(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 8/20 0.53
RXRA P19793 7/20 0.53
KIF11 P52732 1/20 0.46
CNR1 P21554 1/20 0.42
RXRG P48443 3/20 0.41
DHODH Q02127 1/20 0.38
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP4B1 P13584 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP3A5 P20815 1/20 0.35
CYP2A7 P20853 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
SCHEMBL31212443 1.00 RXRB (0.53) RXRBRXRAKIF11CNR1RXRG
SCHEMBL23909381 0.92 RXRB (0.53) RXRBRXRAKIF11CNR1RXRG
SCHEMBL31212441 0.92 RXRB (0.53) RXRBRXRAKIF11CNR1RXRG
SCHEMBL23928046 0.90 RXRB (0.54) RXRBRXRAKIF11CNR1RXRG
SCHEMBL29360024 0.90 RXRB (0.54) RXRBRXRAKIF11CNR1RXRG
SCHEMBL23909387 0.90 RXRB (0.42) RXRBRXRAKIF11CNR1RXRG
SCHEMBL29436334 0.90 RXRB (0.42) RXRBRXRAKIF11CNR1RXRG
SCHEMBL28375569 0.88 GABRA1 (0.44) RXRBRXRAKIF11CNR1RXRG
SCHEMBL23915436 0.88 GABRA1 (0.44) RXRBRXRAKIF11CNR1RXRG
SCHEMBL29416703 0.88 GABRA1 (0.44) RXRBRXRAKIF11CNR1RXRG

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-20210317069-A1 ARYLAMINE COMPOUND, HOLE-TRANSPORT LAYER MATERIAL, HOLE-INJECTION LAYER MATERIAL, LIGHT-EMITTING DEVICE, LIGHT-EMITTING APPARATUS, ELECTRONIC APPARATUS, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2021-10-14 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-20210317069-A1 ARYLAMINE COMPOUND, HOLE-TRANSPORT LAYER MATERIAL, HOLE-INJECTION LAYER MATERIAL, LIGHT-EMITTING DEVICE, LIGHT-EMITTING APPARATUS, ELECTRONIC APPARATUS, AND LIGHTING DEVICE AHR, ARNT, AAAS RXRB 1134/4885RXRA 1093/4885KIF11 1773/4885

“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.