SCHEMBL13017923

SCHEMBL13017923

C=C(C)C(=O)OCCNC(=O)OC(COc1ccccc1)COc1ccc(Sc2ccc(OCC(COc3ccccc3)OC(=O)NCCOC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL17213612 0.91 MTNR1A (0.45) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL13017961 0.89 MTNR1A (0.43) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL2721760 0.89 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL17034329 0.88 MAPT (0.43) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL13017917 0.88 MTNR1A (0.41) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL2721446 0.88 MTNR1A (0.43) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL13017925 0.87 AR (0.47) POLBHTTTDP1
SCHEMBL2719066 0.87 MTNR1A (0.41) MTNR1AMTNR1B
SCHEMBL2719349 0.86 MTNR1A (0.42) MTNR1AMTNR1BPOLBAPEX1HTT
SCHEMBL17034212 0.86 MAPT (0.43) MTNR1AMTNR1BPOLBAPEX1HTT

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-7858159-B2 Photocurable composition for sealant, liquid crystal sealant, and liquid crystal panel DAINIPPON INK AND CHEMICALS, INC. (JP) 2010-12-28 — — US disclosed
US-7858159-B2 Photocurable composition for sealant, liquid crystal sealant, and liquid crystal panel DAINIPPON INK AND CHEMICALS, INC. (JP) 2010-12-28 — — US disclosed
US-20090131550-A1 PHOTOCURABLE COMPOSITION FOR SEALANT, LIQUID CRYSTAL SEALANT, AND LIQUID CRYSTAL PANEL DAINIPPON INK AND CHEMICALS, INC. (JP) 2009-05-21 — — US disclosed
US-20090131550-A1 PHOTOCURABLE COMPOSITION FOR SEALANT, LIQUID CRYSTAL SEALANT, AND LIQUID CRYSTAL PANEL DAINIPPON INK AND CHEMICALS, INC. (JP) 2009-05-21 — — 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-20090131550-A1 PHOTOCURABLE COMPOSITION FOR SEALANT, LIQUID CRYSTAL SEALANT, AND LIQUID CRYSTAL PANEL TRPA1, ANXA1, ANXA11 MTNR1A 1198/4885MTNR1B 2088/4885POLB 4243/4885

“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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