SCHEMBL30944845

SCHEMBL30944845

CC(C)(C)CC(C)(C)c1ccc(OP(=O)([O-])Oc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1.[Ca+]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
SHBG P04278 1/20 0.46
MDH1 P40925 8/20 0.43
MDH2 P40926 8/20 0.43
GPR84 Q9NQS5 1/20 0.38
MEN1 O00255 2/20 0.36
APAF1 O14727 2/20 0.36
USP2 O75604 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
ERBB2 P04626 2/20 0.36
TP53 P04637 2/20 0.36
FYN P06241 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
ADRA2A P08913 2/20 0.36
MAPT P10636 2/20 0.36
HSPD1 P10809 2/20 0.36

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
SCHEMBL30944844 0.97 CYP3A4 (0.49) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL4440332 0.97 CYP3A4 (0.49) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL6365435 0.97 CYP3A4 (0.49) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL21611783 0.90 CYP3A4 (0.47) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL28901114 0.87 CYP3A4 (0.49) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL5679040 0.84 CYP3A4 (0.53) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL5191765 0.83 CYP3A4 (0.51) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL6372311 0.81 CYP3A4 (0.54) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL1354466 0.81 CYP3A4 (0.54) CYP3A4SMN1; SMN2SHBGMDH1MDH2
SCHEMBL23671834 0.80 CYP3A4 (0.53) CYP3A4SMN1; SMN2SHBGMDH1MDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4675270-A2 MAGNESIUM ION SELECTIVE PVC MEMBRANES Radiometer Medical ApS (DK) 2026-01-07 EP disclosed
EP-3818365-B1 MAGNESIUM ION SELECTIVE PVC MEMBRANES RADIOMETER MEDICAL APS (DK) 2025-11-26 EP disclosed
US-12044652-B2 Ion selective membranes and the preparation thereof RADIOMETER MEDICAL APS (DK) 2024-07-23 US disclosed