SCHEMBL13554331

SCHEMBL13554331

CON1C(C)(C)CC(OCCOC2CC(C)(C)N(O)C(C)(C)C2)CC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.33
TSHR P16473 2/20 0.31
KMT2A Q03164 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
SCHEMBL13554330 0.93 GAA (0.32) GAAL3MBTL1HTT
SCHEMBL13554370 0.91 TSHR (0.31) TSHRKMT2A
SCHEMBL15672481 0.89 GAA (0.41) GAAL3MBTL1HTT
SCHEMBL18948174 0.88
SCHEMBL4409167 0.85 GAA (0.36) GAAL3MBTL1HTT
SCHEMBL13257025 0.83 GAA (0.38) GAAL3MBTL1HTT
SCHEMBL18948234 0.82
SCHEMBL17350999 0.81
SCHEMBL16518712 0.81 GAA (0.36) GAAL3MBTL1HTT
SCHEMBL15672512 0.81 GAA (0.39) GAAL3MBTL1HTT

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-20120268706-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-25 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-20120268706-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM NEFM, VIM, FLNB GAA 4098/4885L3MBTL1 3018/4885HTT 2837/4885

“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.