SCHEMBL24601764

SCHEMBL24601764

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.40
PDE2A O00408 5/20 0.33
PDE10A Q9Y233 5/20 0.33
EPHX2 P34913 1/20 0.33
PARP1 P09874 1/20 0.33
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
DHODH Q02127 1/20 0.30
SCN9A Q15858 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
SCHEMBL24601739 0.93 KIF11 (0.33) KIF11ALDH1A1
SCHEMBL24601760 0.91 EPHX2 (0.35) KIF11PDE2APDE10AEPHX2PARP1
SCHEMBL24601575 0.90 EDNRB (0.35) KIF11EPHX2SCN9A
SCHEMBL24601611 0.88 KIF11 (0.33) KIF11ALDH1A1
SCHEMBL24601737 0.87 RXRA (0.32) KIF11ALDH1A1DHODH
SCHEMBL24601761 0.87 ATM (0.32) PDE2APDE10ADHODH
SCHEMBL24601447 0.86 RXRB (0.36) KIF11
SCHEMBL24601833 0.85 TRPA1 (0.38) EPHX2ALDH1A1SCN9A
SCHEMBL24601558 0.85 ICMT (0.35) KIF11EPHX2ALDH1A1
SCHEMBL24601470 0.85 RXRA (0.33) 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 KIF11 3347/4885PDE2A 1571/4885PDE10A 1666/4885

“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.