SCHEMBL32680912

SCHEMBL32680912

CCc1ccc(-c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3nsnc23)s1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PDK2 Q15119 9/20 0.32
▸ ACACA Q13085 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
SCHEMBL18812527 0.85 PDK2 (0.38) PDK2
SCHEMBL25444705 0.84 PDK2 (0.41) PDK2
SCHEMBL14515088 0.84 PDK2 (0.41) PDK2
SCHEMBL25445887 0.83 PDK2 (0.40) PDK2
SCHEMBL32680888 0.82 PDK2 (0.41) NPC1RAB9APDK2
SCHEMBL21117244 0.78 PDK2 (0.48) PDK2
SCHEMBL18748369 0.77 PDK2 (0.36) PDK2
SCHEMBL25445836 0.77 PDK2 (0.38) PDK2
SCHEMBL25445861 0.77 ESR1 (0.40) PDK2
SCHEMBL25070645 0.76 ALOX5AP (0.32) PDK2

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-20260062607-A1 TWO-DIMENSIONAL LATTICE CONFINED SINGLE-MOLECULE-LIKE AGGREGATES PURDUE RESEARCH FOUNDATION (US) 2026-03-05 — — US claimed
US-20260062607-A1 TWO-DIMENSIONAL LATTICE CONFINED SINGLE-MOLECULE-LIKE AGGREGATES PURDUE RESEARCH FOUNDATION (US) 2026-03-05 — — 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-20260062607-A1 TWO-DIMENSIONAL LATTICE CONFINED SINGLE-MOLECULE-LIKE AGGREGATES BLM, MEF2D, SNCA MEN1 2910/4885NPC1 4053/4885RAB9A 1357/4885

“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.

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