SCHEMBL1201730

SCHEMBL1201730

CCOC(=O)C(CC(C)C)c1ccc(I)c(OCC2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.39
APP P05067 2/20 0.38
CNR2 P34972 4/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
GPR88 Q9GZN0 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35

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
SCHEMBL3658688 0.87 CNR2 (0.39) PDE4BAPPCNR2PDE4APDE4C
SCHEMBL10301276 0.85 PDE4B (0.38) PDE4BAPPCNR2PDE4APDE4C
SCHEMBL1202648 0.84 CNR2 (0.43) PDE4BAPPCNR2PDE4APDE4C
SCHEMBL3657862 0.83 PDE4B (0.41) PDE4BAPPCNR2PDE4APDE4C
SCHEMBL1202903 0.81 APP (0.42) PDE4BAPPCNR2GPR88ACACB
SCHEMBL13977002 0.81 APP (0.42) PDE4BAPPCNR2PDE4APDE4C
SCHEMBL1202604 0.81 AKR1C3 (0.45) PDE4BPDE4APDE4CPDE4DKEAP1
SCHEMBL1201622 0.81 APP (0.45) PDE4BAPPCNR2GPR88
SCHEMBL13968023 0.80 APP (0.42) APPCNR2GPR88ACACBACACA
SCHEMBL13968154 0.80 AKR1C3 (0.45) APP

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 8 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-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-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110040094-A1 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
WO-2009036428-A2 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-03-19 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 (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 2041/4885APP 4/4885CNR2 1508/4885
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 PDE4B 2041/4885APP 4/4885CNR2 1508/4885

“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.