SCHEMBL223804

SCHEMBL223804

CC(C)(C)c1cc(CCC(=O)Oc2ccc(-c3ccc(O)cc3)cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
AGTR1 P30556 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.42
VCAM1 P19320 4/20 0.41
MIF P14174 1/20 0.39

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) GAAKMT2AALDH1A1LMNAHTT
SCHEMBL221190 0.93 MAPT (0.47) GAAKMT2AALDH1A1LMNAHTT
SCHEMBL431493 0.92 GAA (0.56) GAAKMT2AALDH1A1LMNAHTT
SCHEMBL28446011 0.91 KMT2A (0.50) GAAKMT2AALDH1A1LMNAHTT
SCHEMBL11705905 0.87 GAA (0.51) GAAKMT2AALDH1A1LMNAHTT
SCHEMBL27941396 0.85 GAA (0.52) GAAKMT2AALDH1A1LMNAHTT
SCHEMBL29594097 0.85 GAA (0.57) GAAKMT2AALDH1A1LMNAMAPT
SCHEMBL2252361 0.85 GAA (0.57) GAAKMT2AALDH1A1MAPTMEN1
SCHEMBL8744662 0.81 GAA (0.45) GAAKMT2AALDH1A1LMNAHTT
SCHEMBL11706012 0.81 THRB (0.49) GAAKMT2AALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013022605-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2013-02-14 WO disclosed
US-8349210-B2 Mesogenic stabilizers TRANSITIONS OPTICAL, INC. (US) 2013-01-08 US disclosed
US-20120003401-A1 MESOGENIC STABILIZERS TRANSITIONS OPTICAL, INC. (US) 2012-01-05 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-20120003401-A1 MESOGENIC STABILIZERS PYM1, BMI1, C1S GAA 4810/4885KMT2A 375/4885ALDH1A1 3077/4885

“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.