SCHEMBL8054864

SCHEMBL8054864

CCOC(=O)C(CC)c1ccc(-c2ccc(C(F)(F)F)cc2)c(OCC2CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.52
AKR1C3 P42330 10/20 0.47
AKR1C2 P52895 10/20 0.47
SLC6A9 P48067 1/20 0.41
CNR1 P21554 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
PDE4B Q07343 2/20 0.40
SSTR5 P35346 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
AKR1B10 O60218 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C1 Q04828 1/20 0.39
PTGER1 P34995 1/20 0.39

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
SCHEMBL1202501 0.90 APP (0.60) APPAKR1C3AKR1C2PSEN1PSEN2
SCHEMBL15858157 0.88 APP (0.38) APPAKR1C3AKR1C2PDE4BPDE4A
SCHEMBL8044676 0.88 APP (0.59) APPAKR1C3AKR1C2SLC6A9CNR1
SCHEMBL1201218 0.84 APP (0.72) APPAKR1C3AKR1C2SLC6A9CNR1
SCHEMBL1201930 0.83 APP (0.58) APPAKR1C3AKR1C2SLC6A9CNR1
SCHEMBL3661280 0.83 APP (0.59) APPAKR1C3AKR1C2SLC6A9CNR1
SCHEMBL3656692 0.83 APP (0.63) APPAKR1C3AKR1C2SLC6A9CNR1
SCHEMBL3654064 0.83 APP (0.54) APPAKR1C3AKR1C2SLC6A9CNR1
SCHEMBL3655034 0.83 APP (0.49) APPAKR1C3AKR1C2SLC6A9CNR1
SCHEMBL1202156 0.80 APP (0.46) APPSLC6A9CNR1PSEN1PSEN2

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 5 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-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

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 4/4885AKR1C3 3717/4885AKR1C2 3410/4885
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 APP 4/4885AKR1C3 3717/4885AKR1C2 3410/4885

“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.