SCHEMBL3465893

SCHEMBL3465893

COc1ccc(CC(C(C)=O)C(C)=O)cc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.52
▸ AKR1C2 P52895 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SLC6A4 P31645 1/20 0.45
▸ PDE4D Q08499 2/20 0.44
▸ ACHE P22303 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43
▸ TUBA3C P0DPH7 1/20 0.43
▸ TUBA1B P68363 1/20 0.43
▸ TUBA4A P68366 1/20 0.43

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
SCHEMBL3796739 0.83 AKR1C3 (0.55) AKR1C3AKR1C2ALDH1A1MEN1KMT2A
SCHEMBL15906158 0.82 LDHA (0.48) ALDH1A1MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL6690963 0.82 TSHR (0.58) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL3466403 0.81 PDE4D (0.49) AKR1C3AKR1C2ALDH1A1MEN1KMT2A
SCHEMBL4321641 0.81 PDE4D (0.49) AKR1C3AKR1C2ALDH1A1MEN1KMT2A
SCHEMBL8028169 0.80 PDE4D (0.49) PDE4DPDE4BLDHA
SCHEMBL3790828 0.79 CYP19A1 (0.50) AKR1C3AKR1C2ALDH1A1MEN1KMT2A
SCHEMBL3790822 0.79 TTR (0.51) AKR1C3AKR1C2ALDH1A1MEN1KMT2A
SCHEMBL3790756 0.78 PDE4D (0.47) AKR1C3AKR1C2ALDH1A1MEN1KMT2A
SCHEMBL16712925 0.78 ALDH1A1 (0.57) AKR1C3AKR1C2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 — — US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 — — US disclosed
EP-2628727-A2 Biaryl PDE4 inhibitors for treating pulmonary and cardiovascular disorders Decode Genetics EHF (IS) 2013-08-21 — — EP disclosed
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 — — US disclosed
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 — — US disclosed
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 — — US disclosed
EP-2222639-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS Decode Genetics EHF (IS) 2010-09-01 — — EP disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 — — US disclosed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 — — US disclosed
US-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 — — US disclosed
WO-2009067621-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DECODE GENETICS EHF (IS) 2009-05-28 — — WO 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-20090136473-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B AKR1C3 490/4885AKR1C2 515/4885ALDH1A1 149/4885
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B AKR1C3 559/4885AKR1C2 652/4885ALDH1A1 150/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B AKR1C3 559/4885AKR1C2 652/4885ALDH1A1 150/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B AKR1C3 490/4885AKR1C2 515/4885ALDH1A1 149/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B AKR1C3 559/4885AKR1C2 652/4885ALDH1A1 150/4885

“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.

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