SCHEMBL26764530

SCHEMBL26764530

CC(C)(C)CC(C)(C)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.61
CYP3A4 P08684 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD11B1 P28845 1/20 0.39
MDH1 P40925 1/20 0.39
MDH2 P40926 1/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ACHE P22303 1/20 0.36
KCNN4 O15554 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL13591329 0.81 SHBG (0.61) SHBGCYP3A4SMN1; SMN2MDH1MDH2
SCHEMBL10515698 0.80 SHBG (0.67) SHBGCYP3A4SMN1; SMN2MDH1MDH2
SCHEMBL780298 0.78 NPC1 (0.48) SMN1; SMN2MEN1NPC1MAPTXBP1
SCHEMBL8768818 0.78 SHBG (0.64) SHBGCYP3A4SMN1; SMN2MDH1MDH2
SCHEMBL15119938 0.77 SHBG (0.42) SHBGCYP3A4SMN1; SMN2HSD11B1CYP2D6
SCHEMBL22304562 0.77 NFE2L2 (0.50) CYP3A4SMN1; SMN2MEN1NPC1MAPT
SCHEMBL186541 0.76 CNR1 (0.42) SHBGCYP3A4SMN1; SMN2HSD11B1CYP2D6
SCHEMBL13539167 0.76 SMN1; SMN2 (0.37) SHBGCYP3A4SMN1; SMN2HSD11B1CYP2D6
SCHEMBL21138351 0.76 SHBG (0.68) SHBGCYP3A4SMN1; SMN2HSD11B1MDH1
SCHEMBL8798776 0.76 SHBG (0.61) SHBGCYP3A4SMN1; SMN2MDH1MDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365617-A1 SAPONIN DERIVATIVES FOR USE IN MEDICINE SAPREME TECHNOLOGIES B.V. (NL) 2023-11-16 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-20230365617-A1 SAPONIN DERIVATIVES FOR USE IN MEDICINE HAVCR2, TTR, PYGL SHBG 168/4885CYP3A4 416/4885SMN1; SMN2 2623/4885

“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.