SCHEMBL19722331

SCHEMBL19722331

C=C(CO)C(=O)OCCCCOc1ccc(-c2ccc(C3CCC(CCCCC)CC3)cc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.37
FFAR4 Q5NUL3 3/20 0.37
PTPN11 Q06124 3/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
S1PR3 Q99500 3/20 0.34
S1PR4 O95977 2/20 0.34
S1PR5 Q9H228 2/20 0.34
CYP2C9 P11712 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
P2RY14 Q15391 1/20 0.33
DGAT1 O75907 1/20 0.33
TLR9 Q9NR96 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
SCHEMBL19721859 0.97 S1PR1 (0.39) S1PR1FFAR4PTPN11THRATHRB
SCHEMBL19722259 0.93 FFAR4 (0.38) S1PR1FFAR4PTPN11THRATHRB
SCHEMBL19722521 0.89 THRA (0.36) S1PR1FFAR4THRATHRBS1PR3
SCHEMBL19722332 0.89 CYP2C9 (0.38) S1PR1RARARARBCYP2C9ALDH1A1
SCHEMBL19721932 0.89 RARB (0.41) S1PR1FFAR4PTPN11RARARARB
SCHEMBL19853843 0.89 CYP2C9 (0.36) PTPN11CYP2C9PTPN1PTPN6ALDH1A1
SCHEMBL19855086 0.89 CYP2C9 (0.36) PTPN11CYP2C9PTPN1PTPN6ALDH1A1
SCHEMBL19722455 0.88 RARB (0.35) FFAR4RARARARBCYP2C9ALDH1A1
SCHEMBL19853858 0.88 PTPN11 (0.37) PTPN11CYP2C9PTPN1PTPN6ALDH1A1
SCHEMBL21321656 0.88 S1PR1 (0.38) S1PR1FFAR4PTPN11THRATHRB

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 6 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
EP-3257839-B1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2019-09-04 EP disclosed
US-10392339-B2 Polymerizable polar compound, liquid crystal composition, and liquid crystal display element JNC CORPORATION (JP) 2019-08-27 US disclosed
WO-2018025974-A1 LIQUID-CRYSTAL DISPLAY ELEMENT AND DISPLAY DEVICE JNC株式会社 2018-02-08 WO 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 S1PR1 106/4885FFAR4 2665/4885PTPN11 2377/4885
US-20170369418-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT SP1, SPIN1, SAV1 S1PR1 122/4885FFAR4 2555/4885PTPN11 1282/4885

“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.