SCHEMBL25533863

SCHEMBL25533863

c1cc(-c2ccc3c(c2)sc2ccccc23)cc(N(c2cccc(-c3cccc4ccccc34)c2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
F9 P00740 1/20 0.33
ALOX5 P09917 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL25533845 0.97 F9 (0.34) MCL1ACMSDF9ALOX5CA12
SCHEMBL25534183 0.94 MCL1 (0.33) MCL1ACMSDF9ALOX5CA12
SCHEMBL25533858 0.94 MCL1 (0.33) MCL1ACMSDF9ALOX5CA12
SCHEMBL23224750 0.93 MCL1 (0.32) MCL1ACMSDF9CA12CA1
SCHEMBL25533879 0.92 S1PR5 (0.33) ALOX5ALDH1A1MAPTHPGDRAB9A
SCHEMBL23238910 0.92 MCL1 (0.31) MCL1ACMSDF9CA12CA1
SCHEMBL25534172 0.91 F9 (0.34) MCL1ACMSDF9CA12CA1
SCHEMBL25533820 0.91 CA12 (0.30) CA12CA1CA2CA9
SCHEMBL25533841 0.91 CA12 (0.34) MCL1ACMSDF9ALOX5CA12
SCHEMBL24646995 0.91 PDK2 (0.33) F9ALOX5ALDH1A1MAPTHPGD

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-20230172058-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-01 US disclosed
US-20230172058-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-01 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-20230172058-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, PIEZO1, ELAVL1 MCL1 1847/4885ACMSD 720/4885F9 910/4885

“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.