SCHEMBL24601625

SCHEMBL24601625

CC(C)(C)c1ccc2c3c4c5ccc(C(c6ccccc6)(c6ccccc6)c6ccccc6)cc5n5c6cc(C(C)(C)C)ccc6c(c6c7ccc(C(c8ccccc8)(c8ccccc8)c8ccccc8)cc7n(c2c1)c36)c45

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.38
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
DNMT1 P26358 3/20 0.33
PGR P06401 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
HTR1D P28221 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
SCHEMBL24601627 0.94 HTR1D (0.35) KIF11ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL24601518 0.89 ESR1 (0.41) KIF11ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL24601521 0.89 KIF11 (0.37) KIF11
SCHEMBL24601500 0.88 RXRB (0.36) KIF11ALDH1A1
SCHEMBL22178867 0.87 KIF11 (0.44) KIF11ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL24601503 0.84 ESR1 (0.38) KIF11DNMT1PGRRORARORC
SCHEMBL24601422 0.84 RXRA (0.38) KIF11ALDH1A1ESR1ESR2CYP3A4
SCHEMBL24601398 0.84 ESR1 (0.43) KIF11ALDH1A1HPGDHSD17B10ESR1
SCHEMBL24601782 0.82 RXRB (0.34)
SCHEMBL24601517 0.80 ESR1 (0.41) KIF11ALDH1A1L3MBTL1ESR1ESR2

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 3347/4885ALDH1A1 3824/4885NPC1 2633/4885

“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.