SCHEMBL2239251

SCHEMBL2239251

CCOC(=O)c1cc2c(cc1C(=O)OCC)C(=O)N(O)C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 8/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
BAZ2B Q9UIF8 1/20 0.46
BAZ2A Q9UIF9 1/20 0.46
KDM4E B2RXH2 6/20 0.46
KMT2A Q03164 2/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 3/20 0.44
GAA P10253 3/20 0.44
HSD17B10 Q99714 3/20 0.44

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
SCHEMBL2238417 0.82 TSHR (0.55) TSHRALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL6029882 0.81 TSHR (0.56) TSHRALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL5083670 0.81 TSHR (0.56) TSHRALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL5080112 0.81 TSHR (0.56) TSHRALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL2243440 0.81 TSHR (0.56) TSHRALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL5080126 0.81 TSHR (0.56) TSHRALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL5077431 0.81 TSHR (0.56) TSHRALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL5077424 0.81 TSHR (0.56) TSHRALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL2240874 0.80 ALDH1A1 (0.64) TSHRALDH1A1MAPTLMNAKMT2A
SCHEMBL3675236 0.80 GAA (0.47) TSHRALDH1A1MAPTLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170282172-A1 OXIDATION REACTOR AND PROCESS FOR PRODUCING OXIDE OSAKA PREFECTURE UNIVERSITY PUBLIC CORPORATION (JP) 2017-10-05 US disclosed
US-20170252717-A1 OXIDATION REACTOR AND PRODUCTION METHOD FOR OXIDE DAICEL CORPORATION (JP) 2017-09-07 US disclosed
US-20170253575-A1 SOLID ACID CATALYST AND METHOD FOR PRODUCING OXIDE DAICEL CORPORATION (JP) 2017-09-07 US disclosed
EP-3187479-A1 OXIDATION REACTOR AND PROCESS FOR PRODUCING OXIDE Osaka Prefecture University Public Corporation (JP) 2017-07-05 EP disclosed
EP-3187480-A1 OXIDATION REACTOR AND PRODUCTION METHOD FOR OXIDE Daicel Corporation (JP) 2017-07-05 EP disclosed
US-9447013-B2 Method for producing oxide DAICEL CORPORATION (JP) 2016-09-20 US disclosed
US-20160159722-A1 METHOD FOR PRODUCING OXIDE DAICEL CORPORATION (JP) 2016-06-09 US disclosed
EP-3023407-A1 METHOD FOR PRODUCING OXIDE Daicel Corporation (JP) 2016-05-25 EP disclosed
EP-2248792-B1 PROCESS FOR PRODUCTION OF OXYGEN-CONTAINING ORGANIC COMPOUND DAICEL CHEM (JP) 2013-11-27 EP disclosed
US-8410308-B2 Process for production of oxygen-containing organic compound DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2013-04-02 US disclosed
EP-1734029-A1 PROCESS FOR PRODUCING AROMATIC CARBOXYLIC ACID Daicel Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
EP-1342715-B1 Process for producing oximes using nitirites DAICEL CHEM (JP) 2006-09-13 EP disclosed
US-7034184-B2 Process for producing azine compounds and oxime compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-04-25 US disclosed
US-20050080289-A1 Process for producing dicarboxylic acid DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2005-04-14 US disclosed
EP-1342714-B1 Process for producing azine compounds and oxime compounds DAICEL CHEM (JP) 2005-01-26 EP disclosed
EP-1471047-A1 PROCESS FOR PRODUCING DICARBOXYLIC ACID Daicel Chemical Industries, Ltd. (JP) 2004-10-27 EP disclosed
US-6768023-B2 REACTING AN ESTER OR SALT OF NITROUS ACID WITH A COMPOUND THAT GENERATES A FREE RADICAL IN THE PRESENCE OF A NITROGEN CONTAINING CYCLIC COMPOUND CONTAINING AN N-OXY OR -HYDROXY IMIDE GROUP; FORMING OXIMES, NITRO COMPOUNDS, AND KETONES DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-07-27 US disclosed
US-20030204084-A1 Process for producing azine compounds and oxime compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-10-30 US disclosed
US-20030171618-A1 Process for producing organic compounds using nitrites DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-11 US disclosed
EP-1342715-A2 Process for producing oximes using nitirites Daicel Chemical Industries, Ltd. (JP) 2003-09-10 EP 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 (5 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-20050080289-A1 Process for producing dicarboxylic acid OGDH, MCCC2, PCCA TSHR 2354/4885ALDH1A1 3529/4885MAPT 557/4885
US-20160159722-A1 METHOD FOR PRODUCING OXIDE HAO2, NOXO1, NOX4 TSHR 2666/4885ALDH1A1 808/4885MAPT 4291/4885
US-20030204084-A1 Process for producing azine compounds and oxime compounds CBR1, DAO, ALKBH2 TSHR 198/4885ALDH1A1 848/4885MAPT 4702/4885
US-20030171618-A1 Process for producing organic compounds using nitrites NOS1, NOS2, NOS3 TSHR 2997/4885ALDH1A1 327/4885MAPT 3597/4885
US-20170253575-A1 SOLID ACID CATALYST AND METHOD FOR PRODUCING OXIDE HAO2, HAO1, SCO2 TSHR 1526/4885ALDH1A1 381/4885MAPT 3504/4885

“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.