SCHEMBL23909381

SCHEMBL23909381

CC(C)(C)c1cc(-c2cccc(Br)c2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 6/20 0.53
RXRA P19793 5/20 0.53
KIF11 P52732 1/20 0.46
CNR1 P21554 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXRG P48443 2/20 0.41
GABRG2 P18507 4/20 0.40
GABRB3 P28472 4/20 0.40
GABRA5 P31644 4/20 0.40
GABRA3 P34903 4/20 0.40
GABRA1 P14867 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
DHODH Q02127 1/20 0.38
BIRC5 O15392 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL31212441 1.00 RXRB (0.53) RXRBRXRAKIF11CNR1SMN1; SMN2
SCHEMBL29360024 0.98 RXRB (0.54) RXRBRXRAKIF11CNR1SMN1; SMN2
SCHEMBL23928046 0.98 RXRB (0.54) RXRBRXRAKIF11CNR1SMN1; SMN2
SCHEMBL30864396 0.93 RXRB (0.50) RXRBRXRAKIF11CNR1SMN1; SMN2
SCHEMBL23909368 0.92 RXRB (0.53) RXRBRXRAKIF11CNR1SMN1; SMN2
SCHEMBL31212443 0.92 RXRB (0.53) RXRBRXRAKIF11CNR1SMN1; SMN2
SCHEMBL28706233 0.88 KIF11 (0.58) RXRBRXRAKIF11SMN1; SMN2MEN1
SCHEMBL25911308 0.88 RXRB (0.63) RXRBRXRAKIF11CNR1RXRG
SCHEMBL28375569 0.83 GABRA1 (0.44) RXRBRXRAKIF11CNR1RXRG
SCHEMBL21989276 0.82 MEN1 (0.50) RXRBRXRAKIF11CNR1SMN1; SMN2

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.