SCHEMBL2238417

SCHEMBL2238417

CCCCCOC(=O)c1cc2c(cc1C(=O)OCCCCC)C(=O)N(O)C2=O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
MAPK1 P28482 2/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALDH1A1 P00352 4/20 0.54
LMNA P02545 2/20 0.54
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ESR1 P03372 2/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GPR84 Q9NQS5 1/20 0.46

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
SCHEMBL5080112 0.98 TSHR (0.56) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL5080126 0.98 TSHR (0.56) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL6029882 0.98 TSHR (0.56) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL5083670 0.98 TSHR (0.56) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL5077431 0.98 TSHR (0.56) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL5077424 0.98 TSHR (0.56) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL2243440 0.98 TSHR (0.56) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL3676146 0.83 TSHR (0.50) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL2240527 0.83 ALDH1A1 (0.67) TSHRMAPK1TP53CYP3A4ALDH1A1
SCHEMBL2239251 0.82 TSHR (0.48) TSHRMAPK1TP53ALDH1A1LMNA

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 39 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-20170253575-A1 SOLID ACID CATALYST AND METHOD FOR PRODUCING OXIDE DAICEL CORPORATION (JP) 2017-09-07 US disclosed
US-20170252717-A1 OXIDATION REACTOR AND PRODUCTION METHOD FOR 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-1238704-B1 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst DAICEL CHEM (JP) 2015-01-21 EP disclosed
EP-2248792-B1 PROCESS FOR PRODUCTION OF OXYGEN-CONTAINING ORGANIC COMPOUND DAICEL CHEM (JP) 2013-11-27 EP disclosed
US-6998491-B2 Catalyst comprising a cyclic imide compound DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-02-14 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
US-20020128149-A1 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-09-12 US disclosed
EP-1238704-A2 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst Daicel Chemical Industries, Ltd. (JP) 2002-09-11 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 (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-20050080289-A1 Process for producing dicarboxylic acid OGDH, MCCC2, PCCA TSHR 2354/4885MAPK1 3470/4885TP53 3873/4885
US-20160159722-A1 METHOD FOR PRODUCING OXIDE HAO2, NOXO1, NOX4 TSHR 2666/4885MAPK1 1395/4885TP53 4147/4885
US-20030204084-A1 Process for producing azine compounds and oxime compounds CBR1, DAO, ALKBH2 TSHR 198/4885MAPK1 1839/4885TP53 3671/4885
US-20030171618-A1 Process for producing organic compounds using nitrites NOS1, NOS2, NOS3 TSHR 2997/4885MAPK1 590/4885TP53 4163/4885
US-20170253575-A1 SOLID ACID CATALYST AND METHOD FOR PRODUCING OXIDE HAO2, HAO1, SCO2 TSHR 1526/4885MAPK1 4352/4885TP53 569/4885
US-20020128149-A1 Catalyst comprising a cyclic imide compound and process for producing organic compounds using the catalyst NOX4, POR, NOX1 TSHR 3340/4885MAPK1 175/4885TP53 2940/4885

“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.