SCHEMBL20322929

SCHEMBL20322929

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

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 3/20 0.31
▸ ITGA2B P08514 3/20 0.31
▸ SLC13A5 Q86YT5 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ RARA P10276 1/20 0.30
▸ RARB P10826 1/20 0.30
▸ CNR1 P21554 3/20 0.30
▸ CNR2 P34972 3/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ S1PR3 Q99500 1/20 0.30

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
SCHEMBL19854699 0.95 PTPN11 (0.34) ITGB3ITGA2BSLC13A5PTPN11RARA
SCHEMBL20322953 0.94 ITGB3 (0.31) ITGB3ITGA2BPTPN11CNR1CNR2
SCHEMBL20322718 0.93 ITGB3 (0.34) ITGB3ITGA2BSLC13A5RARARARB
SCHEMBL20322680 0.92 FFAR4 (0.32) —
SCHEMBL20322608 0.89 PPARG (0.32) —
SCHEMBL20322934 0.89 MEN1 (0.36) PTPN11RARARARBCNR2S1PR1
SCHEMBL20313641 0.89 PTPN11 (0.34) ITGB3ITGA2BSLC13A5PTPN11RARA
SCHEMBL19854694 0.87 ITGB3 (0.37) ITGB3ITGA2BSLC13A5PTPN11RARA
SCHEMBL19855551 0.86 FFAR4 (0.34) ITGB3ITGA2BPTPN11RARARARB
SCHEMBL20322644 0.86 RARB (0.38) ITGB3ITGA2BRARARARBCNR1

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 2 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-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 ITGB3 2671/4885ITGA2B 4063/4885SLC13A5 2884/4885

“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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