SCHEMBL24601769

SCHEMBL24601769

CC(C)(C)c1cc(-c2cccc3c4c5c6cccc(C(F)(F)F)c6n6c7c(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cccc7c(c7c8cccc(C(F)(F)F)c8n(c23)c47)c56)cc(C(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.33
ESR1 P03372 2/20 0.32
BTK Q06187 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
PARP1 P09874 1/20 0.30
HSD11B1 P28845 1/20 0.30
HTR1A P08908 1/20 0.30
HTR7 P34969 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
SCHEMBL24601650 0.91 RXRA (0.33) PTPN5RXRARXRB
SCHEMBL24601767 0.88 CYP3A4 (0.31) PTPN5BTKHSD11B1
SCHEMBL24601766 0.84 RXRA (0.32) RXRARXRB
SCHEMBL24601664 0.84 TRPA1 (0.41) PTPN5HSD11B1
SCHEMBL24601578 0.84 TRPA1 (0.32) PTPN5
SCHEMBL24601833 0.84 TRPA1 (0.38) PTPN5
SCHEMBL24601760 0.81 EPHX2 (0.35) PARP1HTR1AHTR7
SCHEMBL24601764 0.81 KIF11 (0.40) PARP1HTR1AHTR7
SCHEMBL24601652 0.81 RXRA (0.30) PTPN5RXRARXRB
SCHEMBL24601470 0.80 RXRA (0.33) RXRARXRB

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 PTPN5 4085/4885ESR1 1037/4885BTK 1971/4885

“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.