SCHEMBL19854699

SCHEMBL19854699

C=C(CO)C(=O)OCCOc1cc(OCCOC(=O)C(=C)CO)cc(-c2ccc(-c3ccc(CCC4CCC(CCCCC)CC4)cc3)cc2CC)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 2/20 0.34
▸ SLC13A5 Q86YT5 1/20 0.34
▸ ITGB3 P05106 3/20 0.34
▸ ITGA2B P08514 3/20 0.34
▸ RARA P10276 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ CNR2 P34972 6/20 0.33
▸ CNR1 P21554 5/20 0.33
▸ S1PR1 P21453 2/20 0.31
▸ S1PR3 Q99500 1/20 0.31
▸ FFAR4 Q5NUL3 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
SCHEMBL20322929 0.95 ITGB3 (0.31) PTPN11SLC13A5ITGB3ITGA2BRARA
SCHEMBL20313641 0.93 PTPN11 (0.34) PTPN11SLC13A5ITGB3ITGA2BRARA
SCHEMBL19854694 0.92 ITGB3 (0.37) PTPN11SLC13A5ITGB3ITGA2BRARA
SCHEMBL19855551 0.91 FFAR4 (0.34) PTPN11ITGB3ITGA2BRARARARB
SCHEMBL20322953 0.89 ITGB3 (0.31) PTPN11ITGB3ITGA2BCNR2CNR1
SCHEMBL20313562 0.88 MEN1 (0.41) PTPN11RARARARBCNR2CNR1
SCHEMBL20407377 0.87 ITGB3 (0.35) PTPN11SLC13A5ITGB3ITGA2BCNR2
SCHEMBL20322718 0.87 ITGB3 (0.34) SLC13A5ITGB3ITGA2BRARARARB
SCHEMBL19854655 0.87 RAB9A (0.33) PTPN11ITGB3ITGA2BCNR2CNR1
SCHEMBL20322680 0.86 FFAR4 (0.32) FFAR4

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 5 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
WO-2018025974-A1 LIQUID-CRYSTAL DISPLAY ELEMENT AND DISPLAY DEVICE JNC株式会社 2018-02-08 — — WO 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 3649/4885SLC13A5 2884/4885ITGB3 2671/4885

“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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