SCHEMBL3678309

SCHEMBL3678309

O=C1C2CCC3C(=O)N(O)C(=O)C4CCC(C(=O)N1O)C2C34

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
APEX1 P27695 1/20 0.36
ENO1 P06733 2/20 0.32

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
SCHEMBL1260990 0.80 POLB (0.37) ALDH1A1TDP1POLBCYP3A4TSHR
SCHEMBL486926 0.78 POLB (0.41) ALDH1A1TDP1POLBCYP3A4TSHR
SCHEMBL44008 0.78 POLB (0.41) ALDH1A1TDP1POLBCYP3A4TSHR
SCHEMBL18072219 0.78 POLB (0.41) ALDH1A1TDP1POLBCYP3A4TSHR
Hydrochloric Acid SCHEMBL5234099 0.76 POLB (0.40) ALDH1A1TDP1POLBCYP3A4TSHR
SCHEMBL3199393 0.72 POLB (0.44) ALDH1A1TDP1POLBMAPT
SCHEMBL31289551 0.70 ALDH1A1 (0.39) ALDH1A1TDP1POLBCYP3A4TSHR
SCHEMBL19055994 0.70 ALDH1A1 (0.42) ALDH1A1TDP1POLB
SCHEMBL16607543 0.70 ALDH1A1 (0.47) ALDH1A1TDP1POLBCYP3A4TSHR
SCHEMBL17970089 0.70 ALDH1A1 (0.47) ALDH1A1TDP1POLBCYP3A4TSHR

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 31 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-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-1471047-B1 PROCESS FOR PRODUCING DICARBOXYLIC ACID DAICEL CORP (JP) 2012-08-08 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
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 ALDH1A1 3529/4885TDP1 2649/4885POLB 92/4885
US-20160159722-A1 METHOD FOR PRODUCING OXIDE HAO2, NOXO1, NOX4 ALDH1A1 808/4885TDP1 1325/4885POLB 497/4885
US-20030204084-A1 Process for producing azine compounds and oxime compounds CBR1, DAO, ALKBH2 ALDH1A1 848/4885TDP1 4050/4885POLB 899/4885
US-20030171618-A1 Process for producing organic compounds using nitrites NOS1, NOS2, NOS3 ALDH1A1 327/4885TDP1 1460/4885POLB 993/4885
US-20170253575-A1 SOLID ACID CATALYST AND METHOD FOR PRODUCING OXIDE HAO2, HAO1, SCO2 ALDH1A1 381/4885TDP1 1726/4885POLB 668/4885

“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.