SCHEMBL10080346

SCHEMBL10080346

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GFPT1 Q06210 1/20 0.44
HCAR2 Q8TDS4 2/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ZDHHC20 Q5W0Z9 3/20 0.38
ZDHHC2 Q9UIJ5 3/20 0.38
THRB P10828 2/20 0.38
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
GLA P06280 1/20 0.35

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
SCHEMBL14996319 0.89 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10080345 0.88 HCAR2 (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL19150511 0.87 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28743358 0.85 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2608267 0.84 HCAR2 (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12643040 0.82 HCAR2 (0.50) TSHRALDH1A1GFPT1HCAR2KEAP1
SCHEMBL12310431 0.82 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1043171 0.82 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8894920 0.82 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10081663 0.81 GFPT1 (0.42) TSHRHPGDALDH1A1GFPT1HCAR2

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 TSHR 4760/4885HPGD 4657/4885ALDH1A1 2720/4885

“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.