SCHEMBL2608203

SCHEMBL2608203

C=C(C)C(=O)OCCCCCCC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
THRB P10828 1/20 0.42
EPHX2 P34913 1/20 0.37
DGKA P23743 1/20 0.37
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NAAA Q02083 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL9073493 1.00 TSHR (0.57) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2608180 0.98 TSHR (0.54) TSHRPOLBAPEX1HTTTDP1
SCHEMBL12938690 0.88 TSHR (0.46) TSHRTDP1EPHX2CA12CA1
SCHEMBL12259968 0.87 TSHR (0.40) TSHREPHX2DGKACA12CA1
SCHEMBL2608191 0.86 THRB (0.47) TSHRPOLBAPEX1HTTTDP1
SCHEMBL9218134 0.86 TSHR (0.42) TSHRPOLBAPEX1HTTTDP1
SCHEMBL9218062 0.86 TSHR (0.42) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2608208 0.85 TSHR (0.37) TSHREPHX2DGKACA12CA1
SCHEMBL11219249 0.84 TSHR (0.67) TSHRPOLBAPEX1HTTTDP1
SCHEMBL11230384 0.84 TSHR (0.67) TSHRPOLBAPEX1HTTTDP1

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 TSHR 4760/4885POLB 1029/4885APEX1 3291/4885

“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.