SCHEMBL19722413

SCHEMBL19722413

C=C(CN(C)C)C(=O)OCCCc1ccc(OC(=O)C2CCC(CCCCC)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.41
▸ THRB P10828 3/20 0.40
▸ THRA P10827 2/20 0.40
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ITGB3 P05106 3/20 0.34
▸ ITGA2B P08514 3/20 0.34
▸ PLG P00747 1/20 0.34
▸ LSS P48449 3/20 0.34
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HRH3 Q9Y5N1 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
SCHEMBL19722362 0.91 F2 (0.43) F2THRBTHRAGAAMAPT
SCHEMBL19722193 0.87 ITGB3 (0.39) THRBITGB3ITGA2B
SCHEMBL19722415 0.85 ITGB3 (0.34) THRBTHRAITGB3ITGA2BHRH3
SCHEMBL19721961 0.85 SPHK1 (0.46) MAPTKMT2AHRH3
SCHEMBL19722058 0.83 F2 (0.41) F2THRBTHRAGAAMAPT
SCHEMBL9398371 0.83 F2 (0.54) F2THRBTHRAGAAMAPT
SCHEMBL4651768 0.83 F2 (0.54) F2THRBTHRAGAAMAPT
SCHEMBL4651967 0.83 F2 (0.54) F2THRBTHRAGAAMAPT
SCHEMBL9398375 0.83 F2 (0.54) F2THRBTHRAGAAMAPT
SCHEMBL10813927 0.82 F2 (0.49) F2THRBTHRAGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214615-A1 LIQUID CRYSTAL DISPLAY DEVICE AND DISPLAY UNIT JNC CORPORATION (JP) 2021-07-15 — — US disclosed
US-10392339-B2 Polymerizable polar compound, liquid crystal composition, and liquid crystal display element JNC CORPORATION (JP) 2019-08-27 — — US disclosed
US-20170369418-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2017-12-28 — — US disclosed
EP-3257839-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-12-20 — — 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 (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-10392339-B2 Polymerizable polar compound, liquid crystal composition, and liquid crystal display element SP1, HVCN1, CXCR1 F2 779/4885THRB 4606/4885THRA 4306/4885
US-20170369418-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT SP1, SPIN1, SAV1 F2 787/4885THRB 4233/4885THRA 3611/4885

“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.

Send feedback