SCHEMBL22459328

SCHEMBL22459328

C=C(C)C(=O)OCCOc1ccc(-c2ccc(CCCOC(=O)C(=C)COC)cc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.41
▸ S1PR3 Q99500 5/20 0.41
▸ POLB P06746 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ FFAR1 O14842 4/20 0.39
▸ RARB P10826 2/20 0.38
▸ PPARG P37231 3/20 0.36
▸ PTGES O14684 1/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.35
▸ PTPN11 Q06124 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ RARA P10276 1/20 0.33

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
SCHEMBL22561041 0.94 S1PR1 (0.44) S1PR1S1PR3FFAR1RARBPPARG
SCHEMBL22459376 0.92 POLB (0.42) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL22459320 0.91 RARB (0.41) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL22459777 0.90 RARB (0.43) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL22459342 0.90 POLB (0.41) POLBAPEX1HTTTDP1FFAR1
SCHEMBL22459387 0.89 POLB (0.40) S1PR1POLBAPEX1HTTTDP1
SCHEMBL22459385 0.89 POLB (0.40) POLBAPEX1HTTTDP1PPARG
SCHEMBL22083061 0.88 POLB (0.42) POLBAPEX1HTTTDP1PPARG
SCHEMBL22459220 0.87 POLB (0.50) S1PR1S1PR3POLBAPEX1HTT
SCHEMBL22459701 0.87 POLB (0.50) S1PR1S1PR3POLBAPEX1HTT

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
EP-3725764-A1 POLYMERIZABLE COMPOUND HAVING METHOXYMETHYL ACRYLIC GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2020-10-21 — — EP disclosed
US-20200299578-A1 POLYMERIZABLE COMPOUND HAVING METHOXYMETHYL ACRYLIC GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-09-24 — — 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-20200299578-A1 POLYMERIZABLE COMPOUND HAVING METHOXYMETHYL ACRYLIC GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, CCND1, CPNE4 S1PR1 756/4885S1PR3 1399/4885POLB 3467/4885

“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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