SCHEMBL2612367

SCHEMBL2612367

C=CC(=O)NCCCCNC(=O)/C=C/C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 3/20 0.58
ZDHHC2 Q9UIJ5 3/20 0.58
HCAR2 Q8TDS4 2/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
GFPT1 Q06210 1/20 0.46
TGM2 P21980 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.39
TYR P14679 1/20 0.38
MAPT P10636 1/20 0.37
HTR1A P08908 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL12643040 0.93 HCAR2 (0.50) ZDHHC20ZDHHC2HCAR2KEAP1NFE2L2
SCHEMBL10080350 0.87 ZDHHC20 (0.51) ZDHHC20ZDHHC2HCAR2KEAP1NFE2L2
SCHEMBL14996319 0.85 TSHR (0.53) ZDHHC20ZDHHC2HCAR2KEAP1NFE2L2
SCHEMBL11529276 0.84 ZDHHC20 (0.63) ZDHHC20ZDHHC2HCAR2KEAP1NFE2L2
SCHEMBL11529282 0.84 ZDHHC20 (0.63) ZDHHC20ZDHHC2HCAR2KEAP1NFE2L2
SCHEMBL2608278 0.83 ZDHHC20 (0.51) ZDHHC20ZDHHC2HCAR2GFPT1TGM2
SCHEMBL11530889 0.82 ZDHHC20 (0.66) ZDHHC20ZDHHC2HCAR2KEAP1NFE2L2
SCHEMBL11529918 0.82 ZDHHC20 (0.66) ZDHHC20ZDHHC2HCAR2KEAP1NFE2L2
SCHEMBL11529036 0.82 ZDHHC20 (0.66) ZDHHC20ZDHHC2HCAR2KEAP1NFE2L2
SCHEMBL11529911 0.82 ZDHHC20 (0.66) ZDHHC20ZDHHC2HCAR2KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ZDHHC20 1156/4885ZDHHC2 565/4885HCAR2 4232/4885

“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.