SCHEMBL24601648

SCHEMBL24601648

CC(C)(C)c1cc(-c2cccc3c4c5c6ccc(-c7ccc(F)cc7C(F)(F)F)cc6n6c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cccc7c(c7c8ccc(-c9ccc(F)cc9F)cc8n(c23)c74)c56)cc(C(C)(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.32
TRPA1 O75762 1/20 0.32
PGR P06401 1/20 0.32
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
DHODH Q02127 1/20 0.30
GRM5 P41594 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
SCHEMBL24601646 0.89 TRPA1 (0.34) NR3C1TRPA1PGRDHODH
SCHEMBL24601575 0.88 EDNRB (0.35) NR3C1TRPA1ALOX5APFEN1HSD17B1
SCHEMBL24601833 0.86 TRPA1 (0.38) NR3C1TRPA1PGRALOX5APFEN1
SCHEMBL24601761 0.84 ATM (0.32) DHODH
SCHEMBL24601576 0.83 TRPA1 (0.35) TRPA1
SCHEMBL24601655 0.83 TRPA1 (0.36) TRPA1
SCHEMBL24601578 0.83 TRPA1 (0.32) TRPA1
SCHEMBL24601447 0.80 RXRB (0.36)
SCHEMBL24601764 0.79 KIF11 (0.40) DHODH
SCHEMBL24601664 0.79 TRPA1 (0.41) NR3C1TRPA1PGRALOX5APFEN1

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 NR3C1 3883/4885TRPA1 149/4885PGR 2243/4885

“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.