SCHEMBL5054677

SCHEMBL5054677

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.51
PDE4A P27815 4/20 0.48
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
PDE4B Q07343 3/20 0.41
DPP4 P27487 2/20 0.41
GAA P10253 1/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL4259946 1.00 KDM1A (0.51) KDM1APDE4AALDH1A1HPGDKDM4E
SCHEMBL4259945 1.00 KDM1A (0.51) KDM1APDE4AALDH1A1HPGDKDM4E
SCHEMBL7366357 0.93 KDM1A (0.55) KDM1APDE4AALDH1A1HPGDKDM4E
SCHEMBL7366355 0.93 KDM1A (0.55) KDM1APDE4AALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL4254701 0.92 KDM1A (0.54) KDM1APDE4AALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL4254703 0.92 KDM1A (0.54) KDM1APDE4AALDH1A1HPGDKDM4E
SCHEMBL2826447 0.88 KDM1A (0.51) KDM1APDE4AALDH1A1PDE4BDPP4
SCHEMBL1380697 0.88 KDM1A (0.51) KDM1APDE4AALDH1A1PDE4BDPP4
SCHEMBL1380700 0.88 KDM1A (0.51) KDM1APDE4AALDH1A1PDE4BDPP4
SCHEMBL4260439 0.88 KDM1A (0.51) KDM1APDE4AALDH1A1PDE4BDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214536-A1 Amido-Substituted 6-Phenylphenanthridines NYCOMED GMBH (DE) 2008-09-04 US disclosed
US-20080119505-A1 Novel 6-Pyridylphenanthridines ALTANA PHARMA AG (DE) 2008-05-22 US disclosed
EP-1858880-A1 AMIDO-SUBSTITUTED 6-PHENYLPHENANTHRIDINES Nycomed GmbH (DE) 2007-11-28 EP disclosed
EP-1846390-A1 NOVEL 6-PYRIDYLPHENANTHRIDINES Nycomed GmbH (DE) 2007-10-24 EP disclosed
WO-2006095009-A1 AMIDO-SUBSTITUTED 6-PHENYLPHENANTHRIDINES NYCOMED GMBH (DE) 2006-09-14 WO disclosed
WO-2006082185-A1 NOVEL 6-PYRIDYLPHENANTHRIDINES NYCOMED GMBH (DE) 2006-08-10 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 (2 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-20080119505-A1 Novel 6-Pyridylphenanthridines PDE4A, PDE4B, PDE4C KDM1A 901/4885PDE4A 1/4885ALDH1A1 168/4885
US-20080214536-A1 Amido-Substituted 6-Phenylphenanthridines PDE4A, PDE4B, PDE3A KDM1A 1058/4885PDE4A 1/4885ALDH1A1 1158/4885

“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.