SCHEMBL10050758

SCHEMBL10050758

C=CC(=O)OCCOc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.66
MAPT P10636 6/20 0.48
RAB9A P51151 1/20 0.48
PKM P14618 1/20 0.46
PARP10 Q53GL7 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP3 P08254 1/20 0.43
GAA P10253 1/20 0.43
HDAC3 O15379 4/20 0.42
HDAC4 P56524 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC7 Q8WUI4 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC10 Q969S8 4/20 0.42
HDAC11 Q96DB2 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
HDAC9 Q9UKV0 4/20 0.42
HDAC5 Q9UQL6 4/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL16379449 0.96 THRB (0.61) THRBMAPTRAB9APKMPARP10
SCHEMBL18200239 0.94 THRB (0.57) THRBMAPTRAB9APARP10MMP3
SCHEMBL14130742 0.94 THRB (0.57) THRBMAPTRAB9ASMN1; SMN2HDAC3
SCHEMBL16379460 0.94 THRB (0.57) THRBMAPTRAB9ASMN1; SMN2HDAC3
SCHEMBL16379469 0.94 THRB (0.57) THRBMAPTRAB9APARP10MMP3
SCHEMBL16379492 0.93 THRB (0.56) THRBSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL16379455 0.93 THRB (0.56) THRBSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL12604142 0.93 THRB (0.56) THRBSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL23943770 0.91 THRB (0.56) THRBMAPTRAB9ASMN1; SMN2LMNA
SCHEMBL17301210 0.91 THRB (0.56) THRBMAPTSMN1; SMN2TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1990339-B1 DIOXETANE COMPOUND, CATIONICALLY POLYMERIZABLE COMPOSITION, OPTICAL FILM AND LIQUID CRYSTAL DISPLAY UNIT NIPPON OIL CORP (JP) 2012-05-02 EP disclosed
US-7998543-B2 Dioxetane compound, cationically polymerizable composition, optical film, and liquid crystal display device NIPPON OIL CORPORATION (JP) 2011-08-16 US disclosed
US-7998543-B2 Dioxetane compound, cationically polymerizable composition, optical film, and liquid crystal display device NIPPON OIL CORPORATION (JP) 2011-08-16 US disclosed
US-7763182-B2 Liquid crystalline composition with improved adhesivity, liquid crystal film comprising the composition, and liquid crystal display device equipped with the film NIPPON OIL CORPORATION (JP) 2010-07-27 US disclosed
US-7763182-B2 Liquid crystalline composition with improved adhesivity, liquid crystal film comprising the composition, and liquid crystal display device equipped with the film NIPPON OIL CORPORATION (JP) 2010-07-27 US disclosed
US-20090208673-A1 Liquid Crystalline Composition with Improved Adhesivity, Liquid Crystal Film Comprising the Composition, and Liquid Crystal Display Device Equipped with the Film NIPPON OIL CORPORATION (JP) 2009-08-20 US disclosed
US-20090208673-A1 Liquid Crystalline Composition with Improved Adhesivity, Liquid Crystal Film Comprising the Composition, and Liquid Crystal Display Device Equipped with the Film NIPPON OIL CORPORATION (JP) 2009-08-20 US disclosed
US-20090068379-A1 DIOXETANE COMPOUND, CATIONICALLY POLYMERIZABLE COMPOSITION, OPTICAL FILM, AND LIQUID CRYSTAL DISPLAY DEVICE NIPPON OIL CORPORATION (JP) 2009-03-12 US disclosed
US-20090068379-A1 DIOXETANE COMPOUND, CATIONICALLY POLYMERIZABLE COMPOSITION, OPTICAL FILM, AND LIQUID CRYSTAL DISPLAY DEVICE NIPPON OIL CORPORATION (JP) 2009-03-12 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-20090068379-A1 DIOXETANE COMPOUND, CATIONICALLY POLYMERIZABLE COMPOSITION, OPTICAL FILM, AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD1, OCIAD2, DAXX THRB 4420/4885MAPT 473/4885RAB9A 1866/4885

“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.