SCHEMBL17877391

SCHEMBL17877391

CC1(C)CC(OC(=O)C2CCC(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)CC(C)(C)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.42
HTT P42858 2/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 7/20 0.34
KDM4E B2RXH2 3/20 0.34
HMGCR P04035 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ATM Q13315 3/20 0.32
TSHR P16473 3/20 0.32
MAPT P10636 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 2/20 0.32
BLM P54132 2/20 0.32
HIF1A Q16665 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
USP2 O75604 1/20 0.32
CYP2D6 P10635 1/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL17881234 0.87 GAA (0.44) GAAHTTPKMALDH1A1KDM4E
SCHEMBL17877393 0.83 ALDH1A1 (0.37) GAAHTTPKMALDH1A1KDM4E
SCHEMBL17877390 0.83 GAA (0.39) GAAHTTPKMMEN1KMT2A
SCHEMBL17507693 0.77 GAA (0.43) GAATSHR
SCHEMBL10348415 0.77 GAA (0.46) GAAHTTPKMALDH1A1HMGCR
SCHEMBL20428970 0.77 ALDH1A1 (0.41) GAAHTTPKMALDH1A1KDM4E
SCHEMBL5075832 0.77 ALDH1A1 (0.41) GAAHTTPKMALDH1A1KDM4E
SCHEMBL11489217 0.76 HMGCR (0.43) GAAHTTPKMALDH1A1KDM4E
SCHEMBL14137229 0.75 GAA (0.39) GAAHTTPKMALDH1A1KDM4E
SCHEMBL15946083 0.74 ALDH1A1 (0.53) GAAHTTPKMALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170038642-A1 ALIGNMENT LAYER AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-09 US disclosed
US-20170038642-A1 ALIGNMENT LAYER AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-09 US disclosed
US-20160185763-A1 LIQUID CRYSTAL STABILIZER, LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME, AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 US disclosed
US-20160185763-A1 LIQUID CRYSTAL STABILIZER, LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME, AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 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-20160185763-A1 LIQUID CRYSTAL STABILIZER, LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME, AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME PYM1, YBX3, MLX GAA 4819/4885HTT 2389/4885PKM 4781/4885

“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.