SCHEMBL4258992

SCHEMBL4258992

COc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 1.00
CYP19A1 P11511 2/20 0.75
TUBB1 Q9H4B7 7/20 0.69
TUBB4A P04350 6/20 0.69
TUBB P07437 6/20 0.69
TUBA3C P0DPH7 6/20 0.69
TUBA1B P68363 6/20 0.69
TUBA4A P68366 6/20 0.69
TUBB4B P68371 6/20 0.69
TUBB3 Q13509 6/20 0.69
TUBB2A Q13885 6/20 0.69
TUBB8 Q3ZCM7 6/20 0.69
TUBA3E Q6PEY2 6/20 0.69
TUBA1A Q71U36 6/20 0.69
TUBA1C Q9BQE3 6/20 0.69
TUBB6 Q9BUF5 6/20 0.69
TUBB2B Q9BVA1 6/20 0.69
KRAS P01116 2/20 0.69
PTGS1 P23219 2/20 0.68
TLR9 Q9NR96 1/20 0.62

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
SCHEMBL4258994 1.00 PTGS2 (1.00) PTGS2CYP19A1TUBB1TUBB4ATUBB
SCHEMBL6309969 1.00 PTGS2 (1.00) PTGS2CYP19A1TUBB1TUBB4ATUBB
SCHEMBL19581512 0.86 PTGS2 (0.74) PTGS2CYP19A1TUBB1TUBB4ATUBB
SCHEMBL19581514 0.86 PTGS2 (0.74) PTGS2CYP19A1TUBB1TUBB4ATUBB
SCHEMBL4264911 0.86 PTGS2 (0.76) PTGS2CYP19A1TUBB1TUBB4ATUBB
SCHEMBL4264915 0.86 PTGS2 (0.76) PTGS2CYP19A1TUBB1TUBB4ATUBB
SCHEMBL4254981 0.86 PTGS2 (0.75) PTGS2CYP19A1TUBB1TUBB4ATUBB
SCHEMBL4254978 0.86 PTGS2 (0.75) PTGS2CYP19A1TUBB1TUBB4ATUBB
SCHEMBL6474599 0.86 PTGS2 (1.00) PTGS2CYP19A1TUBB1TUBB4ATUBB
SCHEMBL4785927 0.86 PTGS2 (1.00) PTGS2CYP19A1TUBB1TUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
WO-2012087889-A2 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-28 WO disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
US-7629375-B2 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2009-12-08 US disclosed
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2006-08-10 US disclosed
US-6972287-B1 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits PFIZER INC. (US) 2005-12-06 US disclosed
US-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER INC. 2005-06-30 US disclosed
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2005-05-26 US disclosed
US-4939133-A N-substituted-2-hydroxy-α-oxo-benzeneacetamides and pharmaceutical compositions having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1990-07-03 US disclosed
US-4921871-A LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1990-05-01 US disclosed
US-4874758-A LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-10-17 US disclosed
US-4868200-A LEUKOTRIENES, LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868205-A ANTIALLERGENS, ANTIINFLAMMATORY, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868195-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868199-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4761424-A Enolamides, pharmaceutical compositions and methods for treating inflammation WARNER-LAMBERT COMPANY (US) 1988-08-02 US disclosed
EP-0221346-A1 (N-substituted-2-hydroxy) benzamides and N-substituted-2-hydroxy-alpha-oxo-benzeneacetamides and pharmaceutical compositions thereof having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 EP disclosed
EP-0221345-A1 Novel enolamides, process for their manufacture and pharmaceutical compositions thereof with an activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 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 (4 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-20120157465-A1 DNA METHYLATION INHIBITORS MECP2, DNMT1, DNMT3B PTGS2 405/4885CYP19A1 1708/4885TUBB1 1617/4885
US-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885CYP19A1 2245/4885TUBB1 1806/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885CYP19A1 2245/4885TUBB1 1806/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885CYP19A1 2245/4885TUBB1 1806/4885

“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.