SCHEMBL1203129

SCHEMBL1203129

CCCC(C)CC(C(=O)O)c1ccc(OCC2CC2)c(-c2ccccc2C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.39
GPR88 Q9GZN0 10/20 0.36
RXRA P19793 1/20 0.36
PDE4B Q07343 2/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
FFAR1 O14842 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
USP1 O94782 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL1201958 0.89 APP (0.47) APPGPR88RXRAPDE4BACACB
SCHEMBL1201623 0.89 APP (0.44) APPGPR88PDE4BACACBACACA
SCHEMBL1201792 0.83 AKR1C3 (0.40) APPACACBACACAKEAP1NFE2L2
SCHEMBL1202689 0.82 APP (0.47) APPPDE4BACACBACACAPDE4A
SCHEMBL1202952 0.82 APP (0.45) APPGPR88PDE4BACACBKEAP1
SCHEMBL1202343 0.82 APP (0.49) APP
SCHEMBL1202425 0.82 APP (0.41) APPACACBACACAFFAR1PDE4D
SCHEMBL1203009 0.81 APP (0.44) APPGPR88PDE4BACACBACACA
SCHEMBL1203128 0.81 APP (0.38) APPGPR88RXRAPDE4BPDE4A
SCHEMBL1202974 0.81 APP (0.43) APPGPR88PDE4BPDE4APDE4C

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 3 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
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 APP 4/4885GPR88 1069/4885RXRA 2002/4885
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 APP 4/4885GPR88 1069/4885RXRA 2002/4885

“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.