SCHEMBL13554257

SCHEMBL13554257

CON1C(C)(C)CC(OC(=O)C2CCC(C(=O)OC3CC(C)(C)N(O)C(C)(C)C3)CC2)CC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 2/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ESR1 P03372 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1535623 0.91 GAA (0.46) GAAHTTTSHRKMT2AALDH1A1
Ot-551 SCHEMBL3692374 0.91 GAA (0.46) GAAHTTTSHRKMT2AALDH1A1
SCHEMBL7508350 0.91 GAA (0.46) GAAHTTTSHRKMT2AALDH1A1
SCHEMBL18948224 0.90 GAA (0.34) GAAHTT
Ot-551 SCHEMBL3696276 0.89 GAA (0.48) GAAHTTTSHRKMT2AALDH1A1
SCHEMBL19636872 0.84 GAA (0.42) GAAHTTTSHRKMT2AALDH1A1
SCHEMBL19976794 0.84 HTT (0.42) GAAHTTTSHRKMT2AALDH1A1
SCHEMBL12227672 0.84 GAA (0.43) GAAHTTTSHRKMT2AALDH1A1
SCHEMBL19884611 0.83 GAA (0.41) GAAHTTTSHRKMT2AL3MBTL1
SCHEMBL19636873 0.83 GAA (0.43) GAAHTTTSHRKMT2AALDH1A1

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 4098/4885HTT 2837/4885TSHR 4504/4885

“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.