SCHEMBL25533601

SCHEMBL25533601

c1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2-c2ccc3ccccc3c2)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 8/20 0.37
S1PR4 O95977 6/20 0.37
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
F9 P00740 1/20 0.33
ALOX5 P09917 1/20 0.33
PIM1 P11309 2/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 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
SCHEMBL24964707 1.00 S1PR5 (0.37) S1PR5S1PR4CA12CA1CA2
SCHEMBL24965758 0.99 S1PR5 (0.36) S1PR5S1PR4CA12CA1CA2
SCHEMBL24964708 0.99 S1PR5 (0.36) S1PR5S1PR4CA12CA1CA2
SCHEMBL24964201 0.99 S1PR5 (0.36) S1PR5S1PR4CA12CA1CA2
SCHEMBL24962987 0.99 S1PR5 (0.36) S1PR5S1PR4CA12CA1CA2
SCHEMBL24965397 0.98 S1PR5 (0.36) S1PR5S1PR4CA12CA1CA2
SCHEMBL24965757 0.98 S1PR5 (0.37) S1PR5S1PR4CA12CA1CA2
SCHEMBL24964195 0.97 S1PR5 (0.36) S1PR5S1PR4CA12CA1CA2
SCHEMBL25534343 0.97 S1PR5 (0.39) S1PR5S1PR4CA12CA1CA2
SCHEMBL25536128 0.96 CA12 (0.37) S1PR5S1PR4CA12CA1CA2

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 3989/4885CA12 1897/4885

“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.