SCHEMBL1829666

SCHEMBL1829666

C1=Cc2ncc3ccccc3c2CO1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
GPR3 P46089 1/20 0.39
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PARP1 P09874 1/20 0.33
PRKCI P41743 1/20 0.33
PDE4B Q07343 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.31
MAPT P10636 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
SCHEMBL9350114 0.73 KDM4E (0.39) KDM4EGPR3ALDH1A1PARP1PRKCI
SCHEMBL976367 0.71 KDM4E (0.40) KDM4EGPR3MAPK1ALDH1A1PARP1
SCHEMBL30343302 0.70 KDM4E (0.39) KDM4EGPR3TDP1
SCHEMBL8322283 0.67 KDM4E (0.42) KDM4EGPR3MAPK1ALDH1A1PARP1
SCHEMBL18576434 0.63 KDM4E (0.47) KDM4EGPR3MAPK1ALDH1A1PARP1
SCHEMBL6622101 0.63 KDM4E (0.39) KDM4EGPR3MAPK1
SCHEMBL1537127 0.63 KDM4E (0.39) KDM4EGPR3MAPK1
SCHEMBL29521297 0.63 HPRT1 (0.47) KDM4EMAPK1ALDH1A1HSD17B10TDP1
SCHEMBL6201471 0.63 ALOX5 (0.38) KDM4EMAPK1ALDH1A1HSD17B10TDP1
SCHEMBL28080700 0.62 KDM4E (0.38) KDM4EGPR3

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 7 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-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
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 KDM4E 55/4885GPR3 414/4885MAPK1 1390/4885

“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.