SCHEMBL19854686

SCHEMBL19854686

C=C(CO)C(=O)OCCc1cc(CCOC(=O)C(=C)CO)cc(-c2ccc(-c3ccc(OCCCC)c(F)c3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 4/20 0.46
▸ RARB P10826 4/20 0.42
▸ RARA P10276 2/20 0.42
▸ RARG P13631 1/20 0.38
▸ PPARD Q03181 5/20 0.37
▸ FFAR1 O14842 4/20 0.37
▸ PTPN11 Q06124 3/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ PTPN6 P29350 1/20 0.37
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ S1PR2 O95136 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ LPAR2 Q9HBW0 1/20 0.34
▸ MGLL Q99685 1/20 0.34

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
SCHEMBL19854413 0.87 RARB (0.44) S1PR1RARBRARARARG
SCHEMBL19854676 0.86 RARB (0.43) RARBRARA
SCHEMBL19854677 0.85 S1PR1 (0.45) S1PR1RARBRARAFFAR1PTPN11
SCHEMBL19722375 0.82 RARB (0.49) S1PR1RARBRARARARGPPARD
SCHEMBL20313488 0.82 RARB (0.46) RARBRARARARGTHRATHRB
SCHEMBL20313526 0.79 THRB (0.39) S1PR1RARBRARARARGTHRA
SCHEMBL19855219 0.79 RARB (0.42) S1PR1RARBRARAPTPN11THRA
SCHEMBL19855154 0.78 THRB (0.40) S1PR1RARBRARARARGTHRA
SCHEMBL19855341 0.78 RARB (0.51) RARBRARATHRATHRB
SCHEMBL19721859 0.77 S1PR1 (0.39) S1PR1RARBRARARARGPTPN11

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

“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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