SCHEMBL24601664

SCHEMBL24601664

CC(C)(C)c1cc(-c2cccc3c4c5c6cc(-c7ccccc7C(F)(F)F)ccc6n6c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cccc7c(c7c8cc(-c9ccccc9C(F)(F)F)ccc8n(c23)c74)c56)cc(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.41
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
CYP1A2 P05177 5/20 0.36
CYP3A4 P08684 5/20 0.36
TSHR P16473 5/20 0.36
CYP2C19 P33261 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 4/20 0.36
CYP2D6 P10635 4/20 0.36
CLK4 Q9HAZ1 4/20 0.36
USP2 O75604 3/20 0.36
HIF1A Q16665 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AR P10275 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
SCN9A Q15858 4/20 0.33
ALOX15 P16050 2/20 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
SCHEMBL24601833 0.92 TRPA1 (0.38) TRPA1NR3C1PGRCYP1A2CYP3A4
SCHEMBL24601665 0.87 SCD (0.35) PGRALOX5APFEN1
SCHEMBL24601558 0.87 ICMT (0.35) NR3C1PGRALDH1A1MEN1KMT2A
SCHEMBL24601559 0.87 ICMT (0.38) NR3C1PGRALDH1A1LMNAEPHX2
SCHEMBL24601585 0.86 RXRB (0.36)
SCHEMBL24601832 0.85 RXRB (0.36)
SCHEMBL24601760 0.85 EPHX2 (0.35) NR3C1PGRALDH1A1LMNAEPHX2
SCHEMBL24601578 0.85 TRPA1 (0.32) TRPA1PTPN5
SCHEMBL24601767 0.84 CYP3A4 (0.31) CYP3A4CYP2D6PTPN5HSD11B1
SCHEMBL24601577 0.84 SERPINE1 (0.35) 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 149/4885NR3C1 3883/4885PGR 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.