SCHEMBL1826282

SCHEMBL1826282

CCOc1cc([C@@H]2COCC[C@H]2N)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.47
PDE4A P27815 6/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
PDE4D Q08499 7/20 0.41
PDE4B Q07343 4/20 0.41
PDE4C Q08493 4/20 0.41
FPR2 P25090 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP4 P27487 1/20 0.38

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
SCHEMBL1825689 1.00 KDM1A (0.47) KDM1APDE4AALDH1A1HPGDPDE4D
SCHEMBL18425273 0.87 KDM1A (0.39) KDM1APDE4APDE4DPDE4BPDE4C
SCHEMBL5054677 0.82 KDM1A (0.51) KDM1APDE4AALDH1A1HPGDPDE4D
SCHEMBL4259946 0.82 KDM1A (0.51) KDM1APDE4AALDH1A1HPGDPDE4D
SCHEMBL4259945 0.82 KDM1A (0.51) KDM1APDE4AALDH1A1HPGDPDE4D
SCHEMBL4175131 0.78 KDM1A (0.47) KDM1APDE4AALDH1A1HPGDPDE4D
Hydrochloric Acid SCHEMBL2039686 0.77 KDM1A (0.46) KDM1APDE4AALDH1A1HPGDPDE4D
SCHEMBL6441320 0.77 DPP4 (0.50) KDM1APDE4AALDH1A1HPGDPDE4B
SCHEMBL6441317 0.77 DPP4 (0.50) KDM1APDE4AALDH1A1HPGDPDE4B
SCHEMBL6441313 0.77 DPP4 (0.50) KDM1APDE4AALDH1A1HPGDPDE4B

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 3 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

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 KDM1A 80/4885PDE4A 1/4885ALDH1A1 233/4885

“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.