SCHEMBL1823391

SCHEMBL1823391

C#Cc1ccc(OC)c(OCC)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.48
PDE4B Q07343 11/20 0.48
PDE4C Q08493 11/20 0.48
PDE4D Q08499 11/20 0.48
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.45
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
AMY1A P0DUB6 1/20 0.41

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
SCHEMBL23375945 0.93 KDM4E (0.54) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL28050894 0.91 FBP1 (0.44) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7922511 0.85 SMPD1 (0.45) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL168783 0.85 CA2 (0.48) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL30360640 0.85 CA2 (0.48) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL29101743 0.83 SMPD1 (0.50) PDE4B
SCHEMBL15869350 0.82 TRPV4 (0.56) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL1964286 0.82 TRPV4 (0.56) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL16959014 0.82 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6197396 0.82 MAPK1 (0.49) PDE4APDE4BPDE4CPDE4DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324404-B2 3-thia-10-aza-phenanthrene derivatives NYCOMED GMBH (DE) 2012-12-04 US disclosed
US-8324404-B2 3-thia-10-aza-phenanthrene derivatives NYCOMED GMBH (DE) 2012-12-04 US disclosed
US-8324404-B2 3-thia-10-aza-phenanthrene derivatives NYCOMED GMBH (DE) 2012-12-04 US disclosed
WO-2012097116-A2 ISOTOPOLOGUES OF ISOINDOLE DERIVATIVES CELGENE CORPORATION (US) 2012-07-19 WO disclosed
EP-1797098-B1 3-OXA-10-AZA-PHENANTHRENES AS PDE4 OR PDE3/4 INHIBITORS NYCOMED GMBH (DE) 2011-05-04 EP disclosed
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-7838521-B2 3-oxa-10-aza-phenanthrenes NYCOMED GMBH (DE) 2010-11-23 US disclosed
US-7838521-B2 3-oxa-10-aza-phenanthrenes NYCOMED GMBH (DE) 2010-11-23 US disclosed
US-20090239895-A1 Novel 3-thia-10-aza-phenanthrene derivatives NYCOMED GMBH (DE) 2009-09-24 US disclosed
US-20080103168-A1 Novel 3-Thia-10-Aza-Phenanthrene Derivatives ATLANA PHARMA AG (DE) 2008-05-01 US disclosed
US-20070259868-A1 Novel 3-Oxa-10-Aza-Phenanthrenes ALTANA PHARMA AG (DE) 2007-11-08 US disclosed
US-20070259868-A1 Novel 3-Oxa-10-Aza-Phenanthrenes ALTANA PHARMA AG (DE) 2007-11-08 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
EP-1791847-A2 NOVEL 3-THIA-10-AZA-PHENANTHRENE DERIVATIVES Altana Pharma AG (DE) 2007-06-06 EP disclosed
WO-2006027345-A2 NOVEL 3-THIA-10-AZA-PHENANTHRENE DERIVATIVES ALTANA PHARMA AG (DE) 2006-03-16 WO disclosed
WO-2006027345-A2 NOVEL 3-THIA-10-AZA-PHENANTHRENE DERIVATIVES ALTANA PHARMA AG (DE) 2006-03-16 WO disclosed
WO-2006027344-A2 3-OXA-10-AZA-PHENANTHRENES AS PDE4 OR PDE3/4 INHIBITORS ALTANA PHARMA AG (DE) 2006-03-16 WO 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 (3 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-20080103168-A1 Novel 3-Thia-10-Aza-Phenanthrene Derivatives PDE4A, PDE4B, PDE3A PDE4A 1/4885PDE4B 2/4885PDE4C 4/4885
US-20070259868-A1 Novel 3-Oxa-10-Aza-Phenanthrenes PDE4A, PDE4B, PDE3A PDE4A 1/4885PDE4B 2/4885PDE4C 5/4885
US-20090239895-A1 Novel 3-thia-10-aza-phenanthrene derivatives PDE4A, PDE4B, PDE3A PDE4A 1/4885PDE4B 2/4885PDE4C 4/4885

“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.