SCHEMBL20445646

SCHEMBL20445646

CCCCC(CCCCCCCCCCOC)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C(=O)OC1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL20429044 0.96 GAA (0.37) GAA
SCHEMBL20429045 0.95 GAA (0.36) GAA
SCHEMBL11500771 0.92 GAA (0.41) GAAATML3MBTL1MEN1KMT2A
SCHEMBL11170098 0.91 GAA (0.42) GAAMEN1KMT2A
SCHEMBL20438824 0.89 GAA (0.33) GAA
SCHEMBL21581490 0.84 GAA (0.36) GAA
SCHEMBL20428971 0.83 EPHX2 (0.36) GAAMEN1KMT2A
SCHEMBL26482189 0.83 NAAA (0.40) GAA
SCHEMBL20438833 0.82 ESR1 (0.44) GAAALDH1A1
SCHEMBL20428969 0.82 EPHX2 (0.36) GAA

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-10913897-B2 Compounds and liquid-crystalline medium MERCK PATENT GMBH (DE) 2021-02-09 US disclosed
US-20180216005-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-08-02 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 (2 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-10913897-B2 Compounds and liquid-crystalline medium VIM, NEFM, AQP1 GAA 4024/4885ATM 1307/4885L3MBTL1 2508/4885
US-20180216005-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM VIM, NEFM, AQP1 GAA 4024/4885ATM 1307/4885L3MBTL1 2508/4885

“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.