SCHEMBL1832089

SCHEMBL1832089

CCCCCC1COCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
CYP1A2 P05177 3/20 0.41
ALDH1A1 P00352 1/20 0.38
EPHX1 P07099 1/20 0.36
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DAGLA Q9Y4D2 1/20 0.32
PKM P14618 1/20 0.32
PRKCA P17252 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GRM2 Q14416 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL14169479 0.87 NOS1 (0.38) NOS1NOS2CYP1A2
SCHEMBL11895228 0.82 HLCS (0.30)
SCHEMBL3327529 0.79
SCHEMBL8554107 0.75
SCHEMBL2690407 0.75 CYP1A2 (0.47) CYP1A2ALDH1A1EPHX1
SCHEMBL30931491 0.73 CYP1A2 (0.50) CYP1A2ALDH1A1EPHX1
SCHEMBL30931490 0.73 CYP1A2 (0.50) CYP1A2ALDH1A1EPHX1
SCHEMBL30518306 0.73 CYP1A2 (0.50) CYP1A2ALDH1A1EPHX1
SCHEMBL2692573 0.73 CYP1A2 (0.50) CYP1A2ALDH1A1EPHX1
SCHEMBL8025402 0.73 CYP1A2 (0.50) CYP1A2ALDH1A1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797098-B1 3-OXA-10-AZA-PHENANTHRENES AS PDE4 OR PDE3/4 INHIBITORS NYCOMED GMBH (DE) 2011-05-04 EP disclosed
US-7838521-B2 3-oxa-10-aza-phenanthrenes NYCOMED GMBH (DE) 2010-11-23 US disclosed
US-20070259868-A1 Novel 3-Oxa-10-Aza-Phenanthrenes ALTANA PHARMA AG (DE) 2007-11-08 US disclosed
EP-1797098-A2 3-OXA-10-AZA-PHENANTHRENES AS PDE4 OR PDE3/4 INHIBITORS Altana Pharma AG (DE) 2007-06-20 EP disclosed
WO-2006027344-A2 3-OXA-10-AZA-PHENANTHRENES AS PDE4 OR PDE3/4 INHIBITORS ALTANA PHARMA AG (DE) 2006-03-16 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 (1 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-20070259868-A1 Novel 3-Oxa-10-Aza-Phenanthrenes PDE4A, PDE4B, PDE3A NOS1 123/4885NOS2 209/4885CYP1A2 102/4885

“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.