SCHEMBL17461532

SCHEMBL17461532

C=CC(=O)Oc1ccc(CCC(=O)Oc2ccc(-c3ccc(OC(=O)C(=C)C)c(OC(=O)C=C)c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.47
KMT2A Q03164 2/20 0.41
AKR1C3 P42330 7/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MAPT P10636 1/20 0.36
AKR1C2 P52895 1/20 0.36
CCR5 P51681 1/20 0.34
ALOX15 P16050 1/20 0.34
PTGS1 P23219 1/20 0.33
FFAR1 O14842 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
SCHEMBL17461533 1.00 THRB (0.47) THRBKMT2AAKR1C3NFKB1NFKB2
SCHEMBL17433321 0.99 THRB (0.48) THRBKMT2AAKR1C3NFKB1NFKB2
SCHEMBL20105058 0.96 THRB (0.46) THRBKMT2AAKR1C3NFKB1NFKB2
SCHEMBL17754307 0.94 THRB (0.44) THRBKMT2AAKR1C3NFKB1NFKB2
SCHEMBL20414524 0.94 THRB (0.44) THRBKMT2AAKR1C3NFKB1NFKB2
SCHEMBL19524234 0.93 KMT2A (0.45) THRBKMT2AAKR1C3NFKB1NFKB2
SCHEMBL17719452 0.92 THRB (0.51) THRBKMT2AAKR1C3NFKB1NFKB2
SCHEMBL18541176 0.91 THRB (0.41) THRBKMT2AAKR1C3NFKB1NFKB2
SCHEMBL17461531 0.91 KMT2A (0.46) THRBKMT2AAKR1C3MAPTAKR1C2
SCHEMBL17754358 0.91 KMT2A (0.41) THRBKMT2AAKR1C3NFKB1NFKB2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10690952-B2 Liquid crystal display element DIC CORPORATION (JP) 2020-06-23 US disclosed
US-10040997-B2 Nematic liquid crystal composition and liquid crystal display element including same DIC CORPORATION (JP) 2018-08-07 US disclosed
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
EP-2977428-B1 POLYMERIZABLE COMPOUND-CONTAINING LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DAINIPPON INK & CHEMICALS (JP) 2018-05-02 EP disclosed
US-20170226419-A1 POLYMERIZABLE-MONOMER-CONTAINING LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2017-08-10 US disclosed
US-20170226419-A1 POLYMERIZABLE-MONOMER-CONTAINING LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2017-08-10 US disclosed
US-9725651-B2 Polymerizable compound-containing liquid crystal composition and liquid crystal display element using same DIC CORPORATION (JP) 2017-08-08 US disclosed
US-9725651-B2 Polymerizable compound-containing liquid crystal composition and liquid crystal display element using same DIC CORPORATION (JP) 2017-08-08 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-20160319192-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT INCLUDING THE 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-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME DIC CORPORATION (JP) 2016-05-19 US disclosed
US-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME DIC CORPORATION (JP) 2016-05-19 US disclosed
US-20160122650-A1 POLYMERIZABLE COMPOUND-CONTAINING LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2016-05-05 US disclosed
US-20160122650-A1 POLYMERIZABLE COMPOUND-CONTAINING LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2016-05-05 US disclosed
EP-2977428-A1 POLYMERIZABLE COMPOUND-CONTAINING LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC Corporation (JP) 2016-01-27 EP 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-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME RCC1, LPXN, SMC4 THRB 4879/4885KMT2A 2308/4885AKR1C3 2593/4885
US-10040997-B2 Nematic liquid crystal composition and liquid crystal display element including same LBR, NCAPD3, CCT4 THRB 3187/4885KMT2A 3037/4885AKR1C3 4731/4885
US-20160215215-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT INCLUDING SAME NCAPD3, LBR, CCT4 THRB 3997/4885KMT2A 2838/4885AKR1C3 4594/4885

“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.