SCHEMBL25535276

SCHEMBL25535276

c1cc(-c2cccc3sc4ccccc4c23)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3ccccc3c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 8/20 0.37
S1PR4 O95977 6/20 0.37
MCL1 Q07820 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
F9 P00740 1/20 0.35
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
ALOX5 P09917 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
BRDT Q58F21 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PRKDC P78527 1/20 0.31
PIM1 P11309 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
SCHEMBL25137802 0.97 S1PR5 (0.39) S1PR5S1PR4MCL1ACMSDF9
SCHEMBL25533673 0.97 S1PR5 (0.39) S1PR5S1PR4MCL1ACMSDF9
SCHEMBL25535269 0.97 S1PR5 (0.36) S1PR5S1PR4MCL1ACMSDF9
SCHEMBL25533633 0.96 S1PR5 (0.38) S1PR5S1PR4MCL1ACMSDF9
SCHEMBL25137761 0.96 S1PR5 (0.38) S1PR5S1PR4MCL1ACMSDF9
SCHEMBL25137743 0.96 S1PR5 (0.37) S1PR5S1PR4MCL1ACMSDF9
SCHEMBL25137889 0.95 MCL1 (0.38) S1PR5S1PR4MCL1ACMSDF9
SCHEMBL25137892 0.95 MCL1 (0.38) S1PR5S1PR4MCL1ACMSDF9
SCHEMBL23224815 0.95 MCL1 (0.38) S1PR5S1PR4MCL1ACMSDF9
SCHEMBL25533646 0.95 MCL1 (0.38) S1PR5S1PR4MCL1ACMSDF9

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 S1PR5 4533/4885S1PR4 3989/4885MCL1 1847/4885

“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.