SCHEMBL10080347

SCHEMBL10080347

C=CC(=O)NCCOC(=O)CCC(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 3/20 0.40
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
BLM P54132 1/20 0.36
GAA P10253 1/20 0.35
TGM2 P21980 1/20 0.35
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL20380058 0.93 TSHR (0.46) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL10080344 0.89 ZDHHC20 (0.51) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL26478808 0.86 ZDHHC20 (0.51) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL20380059 0.86 ALDH1A1 (0.41) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL24614114 0.86 ZDHHC20 (0.46) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL2608263 0.84 ZDHHC20 (0.39) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL2612179 0.83 ZDHHC20 (0.50) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL26478806 0.82 ZDHHC20 (0.50) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL22820647 0.81 TSHR (0.39) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL8024262 0.81 ZDHHC20 (0.63) TSHRZDHHC20ZDHHC2ALDH1A1LMNA

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-8454857-B2 Polymerizable liquid crystal compounds, polymerizable liquid crystal compositions, liquid crystalline polymers and optically anisotropic materials ZEON CORPORATION (JP) 2013-06-04 US disclosed
US-8262932-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, polymer and film FUJIFILM CORPORATION (JP) 2012-09-11 US disclosed
US-8158021-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, liquid crystalline polymer, and optical anisotropic article ZEON CORPORATION (JP) 2012-04-17 US disclosed
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE ZEON CORPORATION (JP) 2010-10-14 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-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE LEO1, ZYX, CCNT1 TSHR 4760/4885ZDHHC20 1156/4885ZDHHC2 565/4885

“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.