SCHEMBL20322689

SCHEMBL20322689

C=C(CO)C(=O)OCCOc1cc(OCCOC(=O)C(C)(C)CO)cc(-c2ccc(-c3ccc(CCC4CCC(CCCCC)CC4)c(F)c3)c(F)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ PPARD Q03181 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ MCL1 Q07820 1/20 0.30
▸ FFAR4 Q5NUL3 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
SCHEMBL20322644 0.96 RARB (0.38) RARARARBS1PR1CNR2FFAR1
SCHEMBL19854707 0.94 RARB (0.38) RARARARBS1PR1S1PR3CNR2
SCHEMBL20322695 0.93 RARB (0.33) RARARARBCNR2FFAR1DGAT1
SCHEMBL20313638 0.90 RARB (0.42) RARARARBS1PR1CNR2FFAR1
SCHEMBL19854708 0.87 RARB (0.37) RARARARBCNR2FFAR1DGAT1
SCHEMBL20322627 0.86 RARA (0.35) RARARARBDGAT1FFAR4
SCHEMBL20322953 0.86 ITGB3 (0.31) S1PR1S1PR3CNR2
SCHEMBL20407542 0.85 RARB (0.39) RARARARBCNR2FFAR1HTR2A
SCHEMBL20322718 0.85 ITGB3 (0.34) RARARARBS1PR1S1PR3CNR2
SCHEMBL20322929 0.85 ITGB3 (0.31) RARARARBS1PR1S1PR3CNR2

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 RARA 3471/4885RARB 3791/4885S1PR1 63/4885

“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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