SCHEMBL24601833

SCHEMBL24601833

CC(C)(C)c1cc(-c2cccc3c4c5c6ccc(-c7ccccc7C(F)(F)F)cc6n6c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cccc7c(c7c8ccc(-c9ccccc9C(F)(F)F)cc8n(c23)c74)c56)cc(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.38
SCN9A Q15858 2/20 0.37
SCN5A Q14524 1/20 0.37
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR1D1 P20393 6/20 0.35
AR P10275 1/20 0.35
USP2 O75604 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP2C19 P33261 2/20 0.34
CLK4 Q9HAZ1 1/20 0.34
EPHX2 P34913 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL24601578 0.92 TRPA1 (0.32) TRPA1PTPN5
SCHEMBL24601664 0.92 TRPA1 (0.41) TRPA1SCN9ASCN5ANR3C1PGR
SCHEMBL24601575 0.91 EDNRB (0.35) TRPA1SCN9ASCN5ANR3C1EPHX2
SCHEMBL24601646 0.90 TRPA1 (0.34) TRPA1SCN9ANR3C1PGR
SCHEMBL24601576 0.88 TRPA1 (0.35) TRPA1SCN9A
SCHEMBL24601447 0.86 RXRB (0.36)
SCHEMBL24601764 0.85 KIF11 (0.40) SCN9AALDH1A1EPHX2
SCHEMBL24601740 0.85 RXRB (0.36)
SCHEMBL24601655 0.85 TRPA1 (0.36) TRPA1SCN9A
SCHEMBL24601737 0.84 RXRA (0.32) ALDH1A1

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 TRPA1 149/4885SCN9A 1962/4885SCN5A 2237/4885

“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.