SCHEMBL19854677

SCHEMBL19854677

C=C(CO)C(=O)OCCc1cc(CCOC(=O)C(=C)CO)cc(-c2ccc(-c3ccc(OCCCC)cc3F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.45
▸ S1PR3 Q99500 2/20 0.45
▸ RARB P10826 5/20 0.41
▸ RARA P10276 1/20 0.41
▸ MCL1 Q07820 1/20 0.40
▸ PTPN11 Q06124 3/20 0.39
▸ FFAR1 O14842 3/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ AGTR2 P50052 1/20 0.37
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ HMOX1 P09601 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
SCHEMBL19722090 0.90 S1PR1 (0.47) S1PR1S1PR3RARBRARAMCL1
SCHEMBL19854676 0.90 RARB (0.43) RARBRARA
SCHEMBL23635408 0.85 FFAR1 (0.43) S1PR1S1PR3RARBRARAMCL1
SCHEMBL19854686 0.85 S1PR1 (0.46) S1PR1S1PR3RARBRARAPTPN11
SCHEMBL19722113 0.83 RARB (0.51) S1PR1S1PR3RARBRARAPTPN11
SCHEMBL19722134 0.83 RARB (0.51) S1PR1S1PR3RARBRARAPTPN11
SCHEMBL19721834 0.83 RARB (0.50) S1PR1S1PR3RARBRARAMCL1
SCHEMBL19855264 0.83 PTPN11 (0.43) S1PR1S1PR3RARBRARAMCL1
SCHEMBL19722329 0.83 RARB (0.46) S1PR1S1PR3RARBRARAMCL1
SCHEMBL19722079 0.82 RARB (0.50) S1PR1S1PR3RARBRARAMCL1

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
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 63/4885S1PR3 100/4885RARB 3791/4885

“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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