SCHEMBL25534345

SCHEMBL25534345

c1cc(-c2cccc3ccccc23)cc(N(c2cccc(-c3cccc4sc5ccccc5c34)c2)c2ccccc2-c2ccc3ccccc3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 8/20 0.39
S1PR4 O95977 6/20 0.39
MCL1 Q07820 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
PIM1 P11309 2/20 0.33
F9 P00740 1/20 0.32
ALOX5 P09917 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
GSTP1 P09211 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 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
SCHEMBL25137890 0.97 S1PR5 (0.37) S1PR5S1PR4MCL1ACMSDPIM1
SCHEMBL25533607 0.97 S1PR5 (0.37) S1PR5S1PR4MCL1ACMSDPIM1
SCHEMBL25535376 0.97 S1PR5 (0.38) S1PR5S1PR4PIM1ALOX5GSTP1
SCHEMBL25535282 0.94 S1PR5 (0.37) S1PR5S1PR4ALOX5GSTP1HDAC4
SCHEMBL25533523 0.94 S1PR5 (0.39) S1PR5S1PR4MCL1ACMSDF9
SCHEMBL25534873 0.94 S1PR5 (0.36) S1PR5S1PR4F9ALOX5GSTP1
SCHEMBL25535263 0.94 S1PR5 (0.36) S1PR5S1PR4MCL1ACMSDPIM1
SCHEMBL25533894 0.93 S1PR5 (0.38) S1PR5S1PR4ALOX5GSTP1
SCHEMBL25137804 0.93 S1PR5 (0.36) S1PR5S1PR4ALOX5GSTP1HSD17B1
SCHEMBL24919218 0.92 S1PR5 (0.37) S1PR5S1PR4MCL1ACMSDPIM1

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.