SCHEMBL431493

SCHEMBL431493

CC(C)(C)c1cc(CCC(=O)Oc2ccc(OC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.56
KMT2A Q03164 6/20 0.52
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 2/20 0.47
VCAM1 P19320 4/20 0.46
AGTR1 P30556 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL429811 0.96 GAA (0.52) GAAKMT2AMAPTALDH1A1LMNA
SCHEMBL11705905 0.94 GAA (0.51) GAAKMT2AMAPTALDH1A1LMNA
SCHEMBL27941396 0.93 GAA (0.52) GAAKMT2AALDH1A1LMNAHTT
SCHEMBL29594097 0.92 GAA (0.57) GAAKMT2AMAPTALDH1A1LMNA
SCHEMBL2252361 0.92 GAA (0.57) GAAKMT2AMAPTALDH1A1MEN1
SCHEMBL223804 0.92 GAA (0.49) GAAKMT2AMAPTALDH1A1LMNA
SCHEMBL28446011 0.91 KMT2A (0.50) GAAKMT2AMAPTALDH1A1LMNA
SCHEMBL11706012 0.88 THRB (0.49) GAAKMT2AALDH1A1LMNAHSD17B10
SCHEMBL11705042 0.87 GAA (0.44) GAAKMT2AMAPTALDH1A1LMNA
SCHEMBL221190 0.86 MAPT (0.47) GAAKMT2AMAPTALDH1A1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8613868-B2 Mesogenic stabilizers TRANSITIONS OPTICAL, INC (US) 2013-12-24 US disclosed
WO-2013022610-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2013-02-14 WO disclosed
US-20120021144-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2012-01-26 US disclosed
US-20120021144-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2012-01-26 US disclosed
US-20120021144-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2012-01-26 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-20120021144-A1 MESOGENIC STABILIZERS C1S, C5, CCNL2 GAA 4824/4885KMT2A 1363/4885MAPT 1278/4885

“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.