SCHEMBL23846261

SCHEMBL23846261

CN1C(C)(C)CC(OC(=O)C(CC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C(CC(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
CYP2D6 P10635 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL18072166 1.00 GAA (0.38) GAAHTTCYP2D6LMNA
SCHEMBL7506478 0.94 GAA (0.41) GAAHTTCYP2D6LMNA
SCHEMBL30795 0.94 CYP2D6 (0.35) GAAHTTCYP2D6LMNA
SCHEMBL20113386 0.94 CYP2D6 (0.35) GAAHTTCYP2D6LMNA
SCHEMBL13842572 0.89 CYP2D6 (0.33) CYP2D6LMNA
SCHEMBL14274507 0.89 CYP2D6 (0.33) GAACYP2D6LMNA
SCHEMBL21675508 0.88 GAA (0.37) GAAHTTCYP2D6LMNA
SCHEMBL22426085 0.88 GAA (0.37) GAAHTTCYP2D6LMNA
SCHEMBL16790838 0.88 GAA (0.37) GAAHTTCYP2D6LMNA
SCHEMBL24337246 0.88 GAA (0.37) GAAHTTCYP2D6LMNA

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-20210292652-A1 LIQUID CRYSTAL MIXTURE AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2021-09-23 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-20210292652-A1 LIQUID CRYSTAL MIXTURE AND LIQUID CRYSTAL DISPLAY CXCR1, PYM1, F11 GAA 4668/4885HTT 4108/4885CYP2D6 2268/4885

“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.