SCHEMBL24601575

SCHEMBL24601575

CC(C)(C)c1cc(-c2cccc3c4c5c6ccc(-c7ccc(C(F)(F)F)cc7C(F)(F)F)cc6n6c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cccc7c(c7c8ccc(-c9ccc(C(F)(F)F)cc9C(F)(F)F)cc8n(c23)c74)c56)cc(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
SCN9A Q15858 2/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
KIF11 P52732 2/20 0.32
EPHX2 P34913 2/20 0.31
NR3C1 P04150 1/20 0.31
TRPA1 O75762 1/20 0.30
SCN5A Q14524 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
SCHEMBL24601833 0.91 TRPA1 (0.38) ALOX5APFEN1SCN9AEPHX2NR3C1
SCHEMBL24601764 0.90 KIF11 (0.40) SCN9AKIF11EPHX2
SCHEMBL24601648 0.88 NR3C1 (0.32) ALOX5APFEN1HSD17B1HSD17B2NR3C1
SCHEMBL24601578 0.87 TRPA1 (0.32) TRPA1
SCHEMBL24601646 0.85 TRPA1 (0.34) SCN9ANR3C1TRPA1
SCHEMBL24601737 0.84 RXRA (0.32) KIF11
SCHEMBL24601447 0.84 RXRB (0.36) KIF11
SCHEMBL24601760 0.83 EPHX2 (0.35) KIF11EPHX2NR3C1
SCHEMBL24601655 0.83 TRPA1 (0.36) SCN9ATRPA1
SCHEMBL24601739 0.83 KIF11 (0.33) KIF11

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-20220213113-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUNDS, FLUORESCENCE EMITTERS, ORGANIC ELECTROLUMINESCENT DEVICES, AND MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SAMSUNG ELECTRONICS CO., LTD. (KR) 2022-07-07 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-20220213113-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUNDS, FLUORESCENCE EMITTERS, ORGANIC ELECTROLUMINESCENT DEVICES, AND MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES NCL, NOC2L, NOLC1 EDNRB 1936/4885EDNRA 992/4885ALOX5AP 3108/4885

“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.