SCHEMBL2608243

SCHEMBL2608243

C=C(C)C(=O)OCCCCCCOC(C)C

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.65
HTT P42858 2/20 0.53
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
THRB P10828 1/20 0.47
ALDH1A1 P00352 6/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NAAA Q02083 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DEGS1 O15121 1/20 0.32

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
SCHEMBL2608240 0.98 TSHR (0.61) TSHRHTTPOLBAPEX1TDP1
SCHEMBL27557406 0.94 TSHR (0.56) TSHRHTTPOLBAPEX1TDP1
SCHEMBL12304733 0.93 TSHR (0.56) TSHRHTTPOLBAPEX1TDP1
SCHEMBL14605384 0.87 TSHR (0.62) TSHRHTTPOLBAPEX1TDP1
SCHEMBL554732 0.86 THRB (0.57) TSHRHTTPOLBAPEX1TDP1
SCHEMBL22554413 0.86 TSHR (0.83) TSHRHTTPOLBAPEX1TDP1
SCHEMBL22554429 0.86 TSHR (0.83) TSHRHTTPOLBAPEX1TDP1
SCHEMBL22554400 0.86 TSHR (0.83) TSHRHTTPOLBAPEX1TDP1
SCHEMBL22554406 0.86 TSHR (0.83) TSHRHTTPOLBAPEX1TDP1
SCHEMBL22554404 0.86 TSHR (0.83) TSHRHTTPOLBAPEX1TDP1

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 11 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-8262932-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, polymer and film FUJIFILM CORPORATION (JP) 2012-09-11 US disclosed
US-8262931-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, polymer and film FUJIFILM CORPORATION (JP) 2012-09-11 US disclosed
US-8262931-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-20110233464-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER AND FILM FUJIFILM CORPORATION (JP) 2011-09-29 US disclosed
US-20110233464-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER AND FILM FUJIFILM CORPORATION (JP) 2011-09-29 US disclosed
US-20110237768-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER AND FILM FUJIFILM CORPORATION (JP) 2011-09-29 US disclosed
US-20110237768-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER AND FILM FUJIFILM CORPORATION (JP) 2011-09-29 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 (3 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 TSHR 4683/4885HTT 4423/4885POLB 885/4885
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE LEO1, ZYX, CCNT1 TSHR 4760/4885HTT 4719/4885POLB 1029/4885
US-20110237768-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER AND FILM SCO2, NR0B2, NR0B1 TSHR 2025/4885HTT 3996/4885POLB 776/4885

“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.