SCHEMBL17433302

SCHEMBL17433302

C=CC(=O)OCCCOc1ccc(-c2ccc(OCCCOC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
POLB P06746 1/20 0.58
APEX1 P27695 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
THRB P10828 1/20 0.51
TSHR P16473 4/20 0.47
HPGD P15428 1/20 0.47
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.40
RARB P10826 5/20 0.39
GAA P10253 1/20 0.39
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC8 Q9BY41 3/20 0.39

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
SCHEMBL16541710 0.97 THRB (0.56) HTTPOLBAPEX1TDP1THRB
SCHEMBL17190956 0.93 THRB (0.60) HTTPOLBAPEX1TDP1THRB
SCHEMBL19157855 0.91 HTT (0.49) HTTPOLBAPEX1TDP1THRB
SCHEMBL17301215 0.89 HTT (0.53) HTTPOLBAPEX1TDP1THRB
SCHEMBL12172631 0.89 THRB (0.63) HTTTHRBTSHRHPGDCYP3A4
SCHEMBL9517527 0.87 POLB (0.53) HTTPOLBAPEX1TDP1THRB
SCHEMBL17433312 0.87 THRB (0.53) HTTPOLBAPEX1TDP1THRB
SCHEMBL11035951 0.87 POLB (0.53) HTTPOLBAPEX1TDP1THRB
SCHEMBL14400544 0.87 HTT (0.73) HTTPOLBAPEX1TDP1THRB
SCHEMBL22597442 0.87 HTT (0.54) HTTPOLBAPEX1TDP1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040997-B2 Nematic liquid crystal composition and liquid crystal display element including same DIC CORPORATION (JP) 2018-08-07 US disclosed
US-20180187079-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-07-05 US disclosed
US-20180187079-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-07-05 US disclosed
US-20160319191-A1 NEMATIC LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY ELEMENT OBTAINED USING SAME DIC CORPORATION (JP) 2016-11-03 US disclosed
US-20160319191-A1 NEMATIC LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY ELEMENT OBTAINED USING SAME DIC CORPORATION (JP) 2016-11-03 US disclosed
US-20160215215-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT INCLUDING SAME DIC CORPORATION (JP) 2016-07-28 US disclosed
US-20160215215-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT INCLUDING SAME DIC CORPORATION (JP) 2016-07-28 US disclosed
US-20160009999-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DEVICE USING THE SAME DIC CORPORATION (JP) 2016-01-14 US disclosed
US-20160009999-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DEVICE USING THE SAME DIC CORPORATION (JP) 2016-01-14 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 (2 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-10040997-B2 Nematic liquid crystal composition and liquid crystal display element including same LBR, NCAPD3, CCT4 HTT 2932/4885POLB 2264/4885APEX1 4397/4885
US-20160215215-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT INCLUDING SAME NCAPD3, LBR, CCT4 HTT 2590/4885POLB 2265/4885APEX1 4236/4885

“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.