SCHEMBL1203396

SCHEMBL1203396

CCOC(=O)C(C(=O)OCC)c1ccc([N+](=O)[O-])c(OCC2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
CTSB P07858 1/20 0.38
LMNA P02545 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
SCHEMBL13968071 0.95 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DL3MBTL1
SCHEMBL12877809 0.90 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DL3MBTL1
SCHEMBL3655329 0.88 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DL3MBTL1
SCHEMBL3657862 0.86 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DL3MBTL1
SCHEMBL15112700 0.86 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL15112701 0.86 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL8040388 0.84 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DL3MBTL1
SCHEMBL1202825 0.83 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL1202823 0.83 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL14626974 0.82 L3MBTL1 (0.52) L3MBTL1ALDH1A1MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234954-B1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS INC (US) 2015-02-18 EP disclosed
EP-2234954-B1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS INC (US) 2015-02-18 EP disclosed
US-20140364641-A1 Tetrasubstituted Benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2014-12-11 US disclosed
US-20140364641-A1 Tetrasubstituted Benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2014-12-11 US disclosed
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-8664249-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664249-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
WO-2013106328-A1 TETRASUBSTITUTED BENZENES FOR TREATMENT OF EARLY ONSET ALZHEIMER'S DISEASE ENVIVO PHARMACEUTICALS, INC. (US) 2013-07-18 WO disclosed
US-20130165486-A1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-8217064-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2012-07-10 US disclosed
US-8217064-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2012-07-10 US disclosed
US-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
CN-101945848-A Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS INC 2011-01-12 CN disclosed
EP-2234954-A1 TETRASUBSTITUTED BENZENES Envivo Pharmaceuticals, Inc. (US) 2010-10-06 EP disclosed
US-20090299072-A1 Tetrasubstituted Benzenes EN VIVO PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090299072-A1 Tetrasubstituted Benzenes EN VIVO PHARMACEUTICALS, INC. 2009-12-03 US disclosed
WO-2009086277-A1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed
WO-2009086277-A1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed
WO-2009036428-A2 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-03-19 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 (5 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-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 PDE4B 2041/4885PDE4A 2117/4885PDE4C 3188/4885
US-20140364641-A1 Tetrasubstituted Benzenes BACE1, BACE2, PSEN1 PDE4B 2665/4885PDE4A 2959/4885PDE4C 3776/4885
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 PDE4B 2041/4885PDE4A 2117/4885PDE4C 3188/4885
US-20090299072-A1 Tetrasubstituted Benzenes BACE1, BACE2, PSEN1 PDE4B 2665/4885PDE4A 2959/4885PDE4C 3776/4885
US-20130165486-A1 TETRASUBSTITUTED BENZENES BACE1, BACE2, PSEN1 PDE4B 2665/4885PDE4A 2959/4885PDE4C 3776/4885

“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.