SCHEMBL2240268

SCHEMBL2240268

COC(=O)c1cc2c(cc1C(=O)OC)C(=O)N(O)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA3 P34903 2/20 0.43
ALDH1A1 P00352 4/20 0.41
ATM Q13315 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 3/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
KDM4E B2RXH2 5/20 0.40
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.39

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
SCHEMBL2239251 0.79 TSHR (0.48) ALDH1A1SMN1; SMN2MAPTCA12CA1
SCHEMBL3672992 0.78 MAPT (0.40) GABRA1GABRG2GABRB3GABRA3ALDH1A1
SCHEMBL2241691 0.78 ALDH1A1 (0.61) ALDH1A1ATMSMN1; SMN2NPSR1MAPT
SCHEMBL3220858 0.75 MAPT (0.50) ALDH1A1ATMSMN1; SMN2NPSR1MAPT
SCHEMBL829753 0.75 CA12 (0.54) ALDH1A1ATMSMN1; SMN2NPSR1MAPT
SCHEMBL2244436 0.73 KMT2A (0.50) GABRA1GABRG2GABRB3GABRA3ALDH1A1
SCHEMBL31192519 0.73 KDM4E (0.46) GABRA1GABRG2GABRB3GABRA3ALDH1A1
SCHEMBL2238417 0.73 TSHR (0.55) ALDH1A1KDM4EPOLBLMNATSHR
SCHEMBL2241215 0.73 HSD17B10 (0.50) ALDH1A1SMN1; SMN2NPSR1MAPTKDM4E
SCHEMBL3285076 0.72 CA1 (0.52) ALDH1A1MAPTCA1CA2CA7

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 34 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-3187480-A1 OXIDATION REACTOR AND PRODUCTION METHOD FOR OXIDE Daicel Corporation (JP) 2017-07-05 EP disclosed
EP-3187479-A1 OXIDATION REACTOR AND PROCESS FOR PRODUCING OXIDE Osaka Prefecture University Public 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-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
EP-1342714-A1 Process for producing azine compounds and oxime compounds 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 GABRA1 742/4885GABRG2 591/4885GABRB3 931/4885
US-20160159722-A1 METHOD FOR PRODUCING OXIDE HAO2, NOXO1, NOX4 GABRA1 3115/4885GABRG2 3124/4885GABRB3 4103/4885
US-20030204084-A1 Process for producing azine compounds and oxime compounds CBR1, DAO, ALKBH2 GABRA1 2284/4885GABRG2 3071/4885GABRB3 1686/4885
US-20030171618-A1 Process for producing organic compounds using nitrites NOS1, NOS2, NOS3 GABRA1 2165/4885GABRG2 2986/4885GABRB3 2587/4885
US-20170253575-A1 SOLID ACID CATALYST AND METHOD FOR PRODUCING OXIDE HAO2, HAO1, SCO2 GABRA1 1989/4885GABRG2 2011/4885GABRB3 3137/4885

“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.