SCHEMBL2612016

SCHEMBL2612016

C=CC(=O)NCCCN(C)CCCNC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.51
ZDHHC2 Q9UIJ5 1/20 0.51
KDM4E B2RXH2 3/20 0.45
MAPK1 P28482 2/20 0.45
HIF1A Q16665 1/20 0.45
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PAOX Q6QHF9 3/20 0.39
GAA P10253 1/20 0.38
ADRA1A P35348 1/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TGM2 P21980 2/20 0.35
CHEK1 O14757 1/20 0.34
DAPK3 O43293 1/20 0.34
ROCK2 O75116 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
SCHEMBL12330583 0.93 ZDHHC20 (0.58) ZDHHC20ZDHHC2KDM4EMAPK1ALDH1A1
SCHEMBL17858062 0.91 ZDHHC20 (0.56) ZDHHC20ZDHHC2KDM4EMAPK1ALDH1A1
SCHEMBL18331462 0.91 ZDHHC20 (0.56) ZDHHC20ZDHHC2KDM4EMAPK1ALDH1A1
SCHEMBL18331465 0.89 ZDHHC20 (0.59) ZDHHC20ZDHHC2KDM4EMAPK1HIF1A
SCHEMBL18331536 0.89 ZDHHC20 (0.59) ZDHHC20ZDHHC2KDM4EMAPK1HIF1A
SCHEMBL18331525 0.89 ZDHHC20 (0.59) ZDHHC20ZDHHC2KDM4EMAPK1HIF1A
SCHEMBL17325028 0.89 ZDHHC20 (0.59) ZDHHC20ZDHHC2KDM4EMAPK1HIF1A
SCHEMBL511272 0.86 ZDHHC20 (0.66) ZDHHC20ZDHHC2KDM4EMAPK1ALDH1A1
SCHEMBL15830118 0.86 ZDHHC20 (0.61) ZDHHC20ZDHHC2KDM4EMAPK1ALDH1A1
SCHEMBL18331600 0.86 ZDHHC20 (0.59) ZDHHC20ZDHHC2KDM4EMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3502755-A1 DISPLAY MEDIUM FOR ASSESSMENT AND METHOD FOR MANUFACTURING SAME Zeon Corporation (JP) 2019-06-26 EP disclosed
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-20110140041-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS, LIQUID CRYSTALLINE POLYMERS AND OPTICALLY ANISOTROPIC MATERIALS ZEON CORPORATION (JP) 2011-06-16 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 (2 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-20110140041-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS, LIQUID CRYSTALLINE POLYMERS AND OPTICALLY ANISOTROPIC MATERIALS CCNB1, CCNT1, CCNB2 ZDHHC20 2739/4885ZDHHC2 1479/4885KDM4E 4733/4885
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE LEO1, ZYX, CCNT1 ZDHHC20 1156/4885ZDHHC2 565/4885KDM4E 4413/4885

“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.