SCHEMBL30697388

SCHEMBL30697388

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
RXRB P28702 7/20 0.38
RXRA P19793 6/20 0.38
RXRG P48443 3/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
PGR P06401 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
ASIC3 Q9UHC3 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
SCHEMBL27018947 1.00 CHRNB4 (0.39) CHRNB4CHRNA3RXRBRXRARXRG
SCHEMBL29416703 0.85 GABRA1 (0.44) RXRBRXRARXRGGABRA1GABRB2
SCHEMBL28375569 0.85 GABRA1 (0.44) RXRBRXRARXRGGABRA1GABRB2
SCHEMBL23915436 0.85 GABRA1 (0.44) RXRBRXRARXRGGABRA1GABRB2
SCHEMBL18537286 0.85 GABRA1 (0.44) RXRBRXRARXRGGABRA1GABRB2
SCHEMBL29436334 0.83 RXRB (0.42) RXRBRXRARXRGGABRA1GABRB2
SCHEMBL30472433 0.83 GABRA1 (0.37) CHRNB4CHRNA3GABRA1GABRB2KDM4E
SCHEMBL23909387 0.83 RXRB (0.42) RXRBRXRARXRGGABRA1GABRB2
SCHEMBL1725233 0.83 GABRA1 (0.37) CHRNB4CHRNA3GABRA1GABRB2KDM4E
SCHEMBL31071024 0.83 RXRB (0.41) RXRBRXRARXRGGABRA1GABRB2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117998879-A Heterocyclic compound, and light-emitting device, electronic device, and electronic apparatus including the same 三星显示有限公司 2024-05-07 CN disclosed
CN-117903182-A Light emitting device and polycyclic compound for use therein 三星显示有限公司 2024-04-19 CN disclosed
CN-117729789-A Light-emitting element 三星显示有限公司 2024-03-19 CN disclosed
US-20240023439-A1 LIGHT EMITTING DEVICE AND POLYCYCLIC COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2024-01-18 US disclosed
CN-117327109-A Light emitting device and polycyclic compound for use therein 三星显示有限公司 2024-01-02 CN 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-20240023439-A1 LIGHT EMITTING DEVICE AND POLYCYCLIC COMPOUND FOR THE SAME LAGE3, TMEM109, ESR1 CHRNB4 1778/4885CHRNA3 1087/4885RXRB 4656/4885

“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.