SCHEMBL20313641

SCHEMBL20313641

C=C(CO)C(=O)OCCOc1cc(OCCOC(=O)C(=C)CO)cc(-c2ccc(-c3ccc(CCC4CCC(CCCCC)CC4)cc3)c(CCC)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 2/20 0.34
▸ ITGB3 P05106 5/20 0.34
▸ ITGA2B P08514 5/20 0.34
▸ CNR2 P34972 6/20 0.33
▸ CNR1 P21554 5/20 0.33
▸ SLC13A5 Q86YT5 1/20 0.32
▸ RARB P10826 2/20 0.32
▸ RARA P10276 1/20 0.32
▸ S1PR1 P21453 2/20 0.31
▸ S1PR3 Q99500 2/20 0.31
▸ ITGAV P06756 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31

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
SCHEMBL20322953 0.95 ITGB3 (0.31) PTPN11ITGB3ITGA2BCNR2CNR1
SCHEMBL19854699 0.93 PTPN11 (0.34) PTPN11ITGB3ITGA2BCNR2CNR1
SCHEMBL19854694 0.92 ITGB3 (0.37) PTPN11ITGB3ITGA2BCNR2CNR1
SCHEMBL20322929 0.89 ITGB3 (0.31) PTPN11ITGB3ITGA2BCNR2CNR1
SCHEMBL20322718 0.87 ITGB3 (0.34) ITGB3ITGA2BCNR2CNR1SLC13A5
SCHEMBL19855551 0.85 FFAR4 (0.34) PTPN11ITGB3ITGA2BCNR2CNR1
SCHEMBL20407358 0.85 CNR1 (0.33) PTPN11ITGB3ITGA2BCNR2CNR1
SCHEMBL19854652 0.84 CNR2 (0.33) ITGB3ITGA2BCNR2CNR1RARB
SCHEMBL19854707 0.84 RARB (0.38) PTPN11CNR2CNR1RARBRARA
SCHEMBL20313564 0.83 MEN1 (0.42) PTPN11CNR2CNR1RARBRARA

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
EP-3351525-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2018-07-25 — — EP disclosed
US-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-06-28 — — US disclosed
US-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-06-28 — — 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 (1 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-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE C1S, CCND1, C5 PTPN11 3649/4885ITGB3 2671/4885ITGA2B 4063/4885

“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.

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