SCHEMBL23224519

SCHEMBL23224519

CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4cccc(-c5cccc6ccccc56)c4)cc3)c21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HCRTR1 O43613 1/20 0.34
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRND Q07001 1/20 0.33
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31
MCL1 Q07820 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
SCHEMBL23239631 0.99 HCRTR1 (0.33) CA12CA1CA2CA9HCRTR1
SCHEMBL23239611 0.96 CHRNA1 (0.33) CA12CA1CA2CA9HCRTR1
SCHEMBL23224515 0.96 CHRNA1 (0.34) CA12CA1CA2CA9HCRTR1
SCHEMBL23239571 0.96 CA12 (0.35) CA12CA1CA2CA9HCRTR1
SCHEMBL23237109 0.95 CA12 (0.34) CA12CA1CA2CA9HCRTR1
SCHEMBL23224450 0.94 CA12 (0.34) CA12CA1CA2CA9CHRNA1
SCHEMBL24155948 0.94 HCRTR1 (0.35) HCRTR1ALOX5
SCHEMBL23238825 0.94 CA12 (0.33) CA12CA1CA2CA9CHRNA1
SCHEMBL23231858 0.93 CHRNA1 (0.32) HCRTR1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL23225282 0.93 HCRTR1 (0.36) HCRTR1CHRNA1CHRNGCHRNB1CHRNB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024273-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-01-26 US disclosed
WO-2021070965-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2021-04-15 WO 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-20230024273-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, L1CAM, PIEZO1 CA12 2001/4885CA1 1569/4885CA2 3251/4885

“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.