SCHEMBL12877809

SCHEMBL12877809

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
CTSB P07858 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3655329 0.94 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DL3MBTL1
SCHEMBL3657862 0.92 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DL3MBTL1
SCHEMBL1203396 0.90 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DL3MBTL1
SCHEMBL1202823 0.89 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL1202825 0.89 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL13968071 0.87 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DL3MBTL1
SCHEMBL3659424 0.85 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL8040388 0.83 PDE4B (0.41) PDE4BPDE4APDE4CPDE4DL3MBTL1
SCHEMBL15494222 0.82 L3MBTL1 (0.42) PDE4BPDE4APDE4CPDE4DL3MBTL1
SCHEMBL3659144 0.81 L3MBTL1 (0.37) PDE4BPDE4APDE4CPDE4DL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2011-02-17 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 (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-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 PDE4B 2041/4885PDE4A 2117/4885PDE4C 3188/4885
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 PDE4B 2041/4885PDE4A 2117/4885PDE4C 3188/4885

“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.