SCHEMBL10080345

SCHEMBL10080345

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
ZDHHC20 Q5W0Z9 3/20 0.43
ZDHHC2 Q9UIJ5 2/20 0.43
TSHR P16473 6/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.40
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GFPT1 Q06210 1/20 0.38
HPGD P15428 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP3A4 P08684 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
SCHEMBL10080350 0.89 ZDHHC20 (0.51) HCAR2KEAP1NFE2L2ZDHHC20ZDHHC2
SCHEMBL10080346 0.88 TSHR (0.44) HCAR2KEAP1NFE2L2ZDHHC20ZDHHC2
SCHEMBL20548960 0.86 ZDHHC20 (0.43) HCAR2ZDHHC20ZDHHC2TSHRALDH1A1
SCHEMBL2608265 0.84 HCAR2 (0.43) HCAR2ZDHHC20ZDHHC2TSHRALDH1A1
SCHEMBL12643040 0.84 HCAR2 (0.50) HCAR2KEAP1NFE2L2ZDHHC20ZDHHC2
SCHEMBL1043171 0.83 TSHR (0.54) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL2612367 0.81 ZDHHC20 (0.58) HCAR2KEAP1NFE2L2ZDHHC20ZDHHC2
SCHEMBL16037902 0.80 HCAR2 (0.50) HCAR2KEAP1NFE2L2TSHRALDH1A1
SCHEMBL16037900 0.80 HCAR2 (0.50) HCAR2KEAP1NFE2L2TSHRALDH1A1
SCHEMBL18354875 0.80 HCAR2 (0.50) HCAR2KEAP1NFE2L2ALDH1A1ATM

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 3 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-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 HCAR2 4232/4885KEAP1 4517/4885NFE2L2 2625/4885

“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.