SCHEMBL24601503

SCHEMBL24601503

CC(C)(C)c1ccc2c(c1)c1c3c4ccc(C(C)(c5ccccc5)c5ccccc5)cc4n4c5ccc(C(C)(C)C)cc5c(c5c6ccc(C(C)(c7ccccc7)c7ccccc7)cc6n2c15)c34

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
HTR1D P28221 1/20 0.35
DNMT1 P26358 3/20 0.34
PGR P06401 1/20 0.34
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
KIF11 P52732 3/20 0.34
NR1I2 O75469 1/20 0.32
SERPINE1 P05121 2/20 0.31

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
SCHEMBL24601518 0.94 ESR1 (0.41) ESR1ESR2HTR1DDNMT1PGR
SCHEMBL24601627 0.90 HTR1D (0.35) HTR1DDNMT1PGRRORARORC
SCHEMBL24601517 0.89 ESR1 (0.41) ESR1ESR2KIF11
SCHEMBL24601618 0.88 SERPINE1 (0.34) ESR1ESR2SERPINE1
SCHEMBL24601400 0.85 ESR1 (0.39) ESR1ESR2KIF11
SCHEMBL24601625 0.84 KIF11 (0.38) ESR1ESR2HTR1DDNMT1PGR
SCHEMBL22178625 0.84 KIF11 (0.44) HTR1DDNMT1PGRRORARORC
SCHEMBL22178867 0.84 KIF11 (0.44) HTR1DDNMT1PGRRORARORC
SCHEMBL24601629 0.83 ESR1 (0.35) ESR1ESR2KIF11SERPINE1
SCHEMBL24601425 0.83 RXRA (0.35) ESR1ESR2HTR1DDNMT1PGR

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 ESR1 1037/4885ESR2 2012/4885HTR1D 4053/4885

“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.