SCHEMBL4381930

SCHEMBL4381930

CCc1cccc(COP(=O)(OCc2cccc(CC)c2CC)OCc2cccc(CC)c2CC)c1CC

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.39
GABRB2 P47870 4/20 0.39
TSHR P16473 1/20 0.34
TAAR1 Q96RJ0 2/20 0.34
HTR1A P08908 1/20 0.34
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL10336859 0.82 TSHR (0.39) GABRA1GABRB2TSHRL3MBTL1KCNH2
SCHEMBL245773 0.78 GABRA1 (0.57) GABRA1GABRB2TAAR1HTR1AL3MBTL1
SCHEMBL8906508 0.78 CYP3A4 (0.37) TSHR
Phosphoric Acid SCHEMBL28872215 0.77 GABRA1 (0.52) GABRA1GABRB2TSHRTAAR1HTR1A
Methylamine SCHEMBL27545014 0.76 GABRA1 (0.55) GABRA1GABRB2TAAR1HTR1AL3MBTL1
SCHEMBL31498538 0.76 GABRA1 (0.55) GABRA1GABRB2TAAR1HTR1AL3MBTL1
Ammonia Solution, Strong SCHEMBL27320869 0.76 GABRA1 (0.55) GABRA1GABRB2TAAR1HTR1AL3MBTL1
Methane SCHEMBL28776675 0.76 GABRA1 (0.55) GABRA1GABRB2TAAR1HTR1AL3MBTL1
SCHEMBL704327 0.76 GABRA1 (0.41) GABRA1GABRB2TAAR1HTR1AL3MBTL1
SCHEMBL8846660 0.74 GABRA1 (0.40) GABRA1GABRB2TAAR1HTR1AL3MBTL1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112470551-B Sealing agent for organic electroluminescent display element 电化株式会社 2024-05-14 CN disclosed
WO-2024095948-A1 SEALING AGENT, CURED BODY, DISPLAY DEVICE, PRODUCTION METHOD FOR DISPLAY DEVICE, SOLAR CELL, AND COMPOSITION デンカ株式会社 2024-05-10 WO disclosed
CN-113272383-B Composition and method for producing the same 电化株式会社 2023-11-17 CN disclosed
CN-110999537-B Sealing agent for organic electroluminescent element 电化株式会社 2022-08-26 CN disclosed
CN-111065718-B Lubricant composition 日本精工株式会社 2022-05-03 CN disclosed
CN-113272383-A Composition comprising a metal oxide and a metal oxide 电化株式会社 2021-08-17 CN disclosed
CN-112470551-A Sealing agent for organic electroluminescent display element 电化株式会社 2021-03-09 CN disclosed
WO-2020218065-A1 COMPOSITION デンカ株式会社 2020-10-29 WO disclosed
CN-111065717-A Lubricant composition and rolling bearing containing the same 日本精工株式会社 2020-04-24 CN disclosed
CN-111065718-A Lubricant composition 日本精工株式会社 2020-04-24 CN disclosed
CN-110999537-A Sealing agent for organic electroluminescent element 电化株式会社 2020-04-10 CN disclosed
WO-2020067046-A1 SEALING AGENT FOR ORGANIC ELECTROLUMINESCENT DISPLAY ELEMENTS デンカ株式会社 2020-04-02 WO disclosed
CN-107406552-A Polymer latex composition for fiber bonding 德国昕特玛有限公司 2017-11-28 CN disclosed
US-7625681-B2 Asymmetric bis-hydroxyenamine compound, electrophotographic photoreceptor and image forming apparatus SHARP KABUSHIKI KAISHA (JP) 2009-12-01 US disclosed
US-20060275683-A1 photoreceptor free of an image defect such as a black spot; polycarbonate, polyether, polyester or polyurethane formed from asymmetric bis-hydroxyenamine p-(p-hydroxyphenylvinyl)phenyl 4-(p-hydroxyphenylvinyl)naphthyl 2,2-diphenylvinylamine SHARP KABUSHIKI KAISHA (JP) 2006-12-07 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-20060275683-A1 photoreceptor free of an image defect such as a black spot; polycarbonate, polyether, polyester or polyurethane formed from asymmetric bis-hydroxyenamine p-(p-hydroxyphenylvinyl)phenyl 4-(p-hydroxyphenylvinyl)naphthyl 2,2-diphenylvinylamine ALDH1A2, NR2E3, SLC18A1 GABRA1 1853/4885GABRB2 2582/4885TSHR 4467/4885

“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.