SCHEMBL7723906

SCHEMBL7723906

CCOC(=O)c1ccc([N+](=O)[O-])cc1C(=O)OCC

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.68
MAPT P10636 4/20 0.53
TSHR P16473 1/20 0.53
NPC1 O15118 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
CACNA1C Q13936 2/20 0.50
AR P10275 1/20 0.50
CACNA1F O60840 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CACNA1D Q01668 1/20 0.50
CACNA1S Q13698 1/20 0.50
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49

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
SCHEMBL26687978 0.92 SMN1; SMN2 (0.67) SMN1; SMN2MAPTNPC1TDP1ALDH1A1
SCHEMBL7116626 0.92 SMN1; SMN2 (0.64) SMN1; SMN2MAPTTSHRNPC1TDP1
SCHEMBL21051883 0.91 SMN1; SMN2 (0.62) SMN1; SMN2MAPTTSHRNPC1TDP1
SCHEMBL426382 0.89 SMN1; SMN2 (0.67) SMN1; SMN2MAPTTSHRNPC1TDP1
SCHEMBL550516 0.89 SMN1; SMN2 (0.63) SMN1; SMN2MAPTTSHRNPC1TDP1
SCHEMBL7733827 0.88 CACNA1F (0.58) SMN1; SMN2MAPTTSHRTDP1ALDH1A1
SCHEMBL7734024 0.88 CACNA1F (0.58) SMN1; SMN2MAPTTSHRTDP1ALDH1A1
SCHEMBL7665374 0.88 SMN1; SMN2 (0.61) SMN1; SMN2MAPTNPC1TDP1ALDH1A1
SCHEMBL2616927 0.88 SMN1; SMN2 (0.61) SMN1; SMN2MAPTTSHRNPC1TDP1
SCHEMBL3299225 0.88 CA12 (0.62) SMN1; SMN2MAPTNPC1ALDH1A1KMT2A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085299-A Plasticizing agent diethyl phthalate hapten and preparation method thereof UNIV SHANGHAI JIAOTONG 2015-11-25 CN claimed
CN-105085667-A Diethyl phthalate artificial coating antigen as well as preparation and application thereof UNIV SHANGHAI JIAOTONG 2015-11-25 CN claimed
CN-105085663-A Diethyl phthalate artificial immunogen, and preparation and application thereof UNIV SHANGHAI JIAOTONG 2015-11-25 CN claimed
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2020-05-05 US disclosed
US-20200079778-A9 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARMACEUTICALS INC. 2020-03-12 US disclosed
US-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-05-09 US disclosed
US-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2019-02-05 US disclosed
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 US disclosed
US-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 US disclosed
US-20160251359-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2016-09-01 US disclosed
US-9260452-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-02-16 US disclosed
CN-100432042-C Preparation technology of purified 4-nitro phthalic acid LU XIANCHUN (CN) 2008-11-12 CN disclosed
CN-1651399-A Preparation technology of purified 4-nitro phthalic acid LU XIANCHUN (CN) 2005-08-10 CN disclosed
US-6399318-B1 ANTIGEN WHICH IS CONJUGATE OF CARRIER PROTEIN AND PHTHALIC ACID ESTER OF DEFINED STRUCTURE; FOR DETECTION AND MEASUREMENT OF PLASTICIZERS IN ENVIRONMENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-06-04 US disclosed
US-4960905-A CURING AGENT FOR EPOXY RESINS OCCIDENTAL CHEMICAL CORPORATION (US) 1990-10-02 US disclosed
US-4827000-A REACTION OF FLUOROPHTHALIC ANHYDRIDE WITH A PHENOL OCCIDENTAL CHEMICAL CORPORATION (US) 1989-05-02 US disclosed
EP-0308863-A2 Process for the preparation of phenoxy phthalic anhydrides OCCIDENTAL CHEMICAL CORPORATION (US) 1989-03-29 EP disclosed
EP-0118543-A1 SUBSTITUTED N-BENZENESULFONYLOXYPHTHALIMIDES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1984-09-19 EP disclosed
WO-1984000888-A1 SUBSTITUTED N-BENZENESULFONYLOXYPHTHALIMIDES UNIV SOUTHERN CALIFORNIA (US) 1984-03-15 WO disclosed
US-4002664-A Manufacture of dimethylaminobenzenecarboxylic acid esters BASF AKTIENGESELLSCHAFT (DT) 1977-01-11 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 (6 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-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 SMN1; SMN2 3419/4885MAPT 4094/4885TSHR 481/4885
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 SMN1; SMN2 3419/4885MAPT 4094/4885TSHR 481/4885
US-20160251359-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 SMN1; SMN2 2960/4885MAPT 4176/4885TSHR 455/4885
US-20190135815-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 SMN1; SMN2 3419/4885MAPT 4094/4885TSHR 481/4885
US-20200079778-A9 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 SMN1; SMN2 3419/4885MAPT 4094/4885TSHR 481/4885
US-10640510-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 SMN1; SMN2 3419/4885MAPT 4094/4885TSHR 481/4885

“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.