SCHEMBL537186

SCHEMBL537186

CCOc1cc(C(N)C[C@@H](C)O)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.46
PDE4B Q07343 10/20 0.46
PDE4C Q08493 10/20 0.46
PDE4D Q08499 10/20 0.46
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HIF1A Q16665 1/20 0.44
ACHE P22303 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL537738 1.00 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL537185 1.00 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL688521 1.00 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DMAPK1
Hydrochloric Acid SCHEMBL537871 0.99 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DMAPK1
Hydrochloric Acid SCHEMBL537179 0.99 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL13981616 0.90 PPARG (0.53) ALDH1A1HIF1AACHEPPARGPPARD
Hydrochloric Acid SCHEMBL4750870 0.88 PPARG (0.51) MAPK1ALDH1A1HIF1AACHEPPARG
Hydrochloric Acid SCHEMBL4750872 0.88 PPARG (0.51) MAPK1ALDH1A1HIF1AACHEPPARG
Hydrochloric Acid SCHEMBL2498525 0.87 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL7099805 0.85 ALDH1A1 (0.50) PDE4APDE4BPDE4CPDE4DMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45685-E1 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2015-09-29 US disclosed
EP-1228071-B8 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORP (US) 2012-02-29 EP disclosed
EP-2263669-B1 Pharmaceutically active isoindoline derivatives CELGENE CORP (US) 2012-02-08 EP disclosed
EP-2255801-B1 Pharmaceutically active isoindoline derivatives CELGENE CORP (US) 2012-02-08 EP disclosed
US-8030343-B2 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2011-10-04 US disclosed
EP-1698334-B1 Pharmaceutically active isoindoline derivatives CELGENE CORP (US) 2011-04-20 EP disclosed
EP-2263669-A1 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2010-12-22 EP disclosed
EP-2255801-A1 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2010-12-01 EP disclosed
EP-1228071-B1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORP (US) 2007-03-28 EP disclosed
EP-1698334-A1 Pharmaceutically active isoindoline derivatives CELGENE CORPORATION (US) 2006-09-06 EP disclosed
US-20040147588-A1 Pharmaceutically active isoindoline derivatives MAN HON-WAH 2004-07-29 US disclosed
US-6667316-B1 Amido or imido functionality; tumor necrosis factor alpha, phosphodiesterases, matrix metalloproteases and angiogenesis inhibitors CELGENE CORPORATION 2003-12-23 US disclosed
EP-1228071-A4 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORP (US) 2002-12-04 EP disclosed
EP-1228071-A1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORPORATION (US) 2002-08-07 EP disclosed
WO-2001034606-A1 PHARMACEUTICALLY ACTIVE ISOINDOLINE DERIVATIVES CELGENE CORPORATION (US) 2001-05-17 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-20040147588-A1 Pharmaceutically active isoindoline derivatives PDE3A, PDE5A, PDE2A PDE4A 6/4885PDE4B 14/4885PDE4C 10/4885

“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.