SCHEMBL13408633

SCHEMBL13408633

CC(C)(C)c1cc(CCC(=O)CCC(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.50
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.43
HTT P42858 2/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
BLM P54132 2/20 0.38
ATM Q13315 2/20 0.38
HIF1A Q16665 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
AGTR1 P30556 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL30209 0.89 GAA (0.57) GAAKMT2AMEN1HTTPKM
SCHEMBL4153734 0.88 GAA (0.51) GAAKMT2AMEN1HTTPKM
SCHEMBL29764272 0.88 GAA (0.56) GAAKMT2AMEN1HTTPKM
SCHEMBL29923229 0.88 GAA (0.56) GAAKMT2AMEN1HTTPKM
SCHEMBL16426340 0.87 GAA (0.50) GAAKMT2AMEN1HTTPKM
SCHEMBL9657927 0.85 GAA (0.51) GAAKMT2AMEN1HTTPKM
SCHEMBL1316059 0.85 GAA (0.54) GAAKMT2AMEN1HTTPKM
SCHEMBL5974595 0.85 GAA (0.54) GAAKMT2AMEN1HTTPKM
SCHEMBL17791556 0.85 GAA (0.54) GAAKMT2AMEN1HTTPKM
SCHEMBL5505723 0.85 GAA (0.54) GAAKMT2AMEN1HTTPKM

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-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-12-21 US disclosed
US-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-12-21 US disclosed
US-7704566-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2010-04-27 US disclosed
WO-2008048498-A1 PHOTOTHERMOGRAPHIC MATERIALS CONTAINING PRINT STABILIZERS CARESTREAM HEALTH, INC. (US) 2008-04-24 WO 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-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY PBDC1, RCC1, PUF60 GAA 2266/4885KMT2A 3518/4885MEN1 2412/4885

“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.