SCHEMBL24601400

SCHEMBL24601400

CC(C)(c1ccccc1)c1ccc2c(c1)c1c3c4ccc(C(C)(C)c5ccccc5)cc4n4c5ccc(C(C)(C)c6ccccc6)cc5c(c5c6ccc(C(C)(C)c7ccccc7)cc6n2c15)c34

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
NR3C2 P08235 3/20 0.36
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
KIF11 P52732 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL24601403 0.94 ESR1 (0.43) ESR1ESR2ALDH1A1CYP3A4NR3C2
SCHEMBL24601398 0.94 ESR1 (0.43) ESR1ESR2ALDH1A1CYP3A4NR3C2
SCHEMBL24601399 0.93 ESR1 (0.40) ESR1ESR2ALDH1A1CYP3A4NR3C2
SCHEMBL24601405 0.91 CNR1 (0.36) ESR1ESR2ALDH1A1CYP3A4NR3C2
SCHEMBL24601425 0.87 RXRA (0.35) ESR1ESR2ALDH1A1CYP3A4NR3C2
SCHEMBL24601502 0.86 RXRB (0.33) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL24601397 0.86 CNR1 (0.38) ESR1ESR2ALDH1A1CYP3A4NR3C2
SCHEMBL24601627 0.86 HTR1D (0.35) ALDH1A1KIF11
SCHEMBL24601401 0.86 SERPINE1 (0.37) ALDH1A1CNR1CNR2KIF11
SCHEMBL24601503 0.85 ESR1 (0.38) ESR1ESR2KIF11

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 2012/4885ALDH1A1 3824/4885

“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.