SCHEMBL1830737

SCHEMBL1830737

[CH2]COCCOCCO[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA4 P22748 2/20 0.30
CA9 Q16790 2/20 0.30

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
SCHEMBL4148091 0.98
SCHEMBL28277555 0.87 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL1773954 0.87 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL11792981 0.87 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL439675 0.87 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL437092 0.87 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL8710217 0.84 CA12 (0.40) ALDH1A1CA12CA1CA2CA4
Ethylene SCHEMBL20711015 0.79 ALDH1A1 (0.48) ALDH1A1CA12CA1CA2CA4
Ethylene SCHEMBL11441586 0.79 ALDH1A1 (0.48) ALDH1A1CA12CA1CA2CA4
SCHEMBL417312 0.79 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318427-A1 GLUCOCORTICOIDS ATTACHED TO NITRATE ESTERS VIA AN AROMATIC LINKER IN POSITION 21 AND THEIR USE IN OPHTHALMOLOGY Nicox S.A. (FR) 2011-05-11 EP disclosed
WO-2010012567-A1 GLUCOCORTICOIDS ATTACHED TO NITRATE ESTERS VIA AN AROMATIC LINKER IN POSITION 21 AND THEIR USE IN OPHTHALMOLOGY NICOX S.A. (FR) 2010-02-04 WO disclosed
US-20090170934-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC NICOX SA 2009-07-02 US disclosed
US-20090096314-A1 ELECTRIC MOTOR HONDA MOTOR CO., LTD. (JP) 2009-04-16 US disclosed
US-20060122402-A1 Manufacturing process for no-donating compounds such as no-donating diclofenac NICOX SA (FR) 2006-06-08 US disclosed
CN-1684940-A Manufacturing process for NO-donating compounds such as NO-donating diclofenac NICOX SA (FR) 2005-10-19 CN 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 (2 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-20060122402-A1 Manufacturing process for no-donating compounds such as no-donating diclofenac NOS2, NOS1, NOS3 ALDH1A1 172/4885CA12 1716/4885CA1 1218/4885
US-20090170934-A1 MANUFACTURING PROCESS FOR NO-DONATING COMPOUNDS SUCH AS NO-DONATING DICLOFENAC NOS2, NOS1, NOS3 ALDH1A1 172/4885CA12 1716/4885CA1 1218/4885

“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.