SCHEMBL8044676

SCHEMBL8044676

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.59
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
PSEN1 P49768 3/20 0.43
PSEN2 P49810 3/20 0.43
APH1B Q8WW43 3/20 0.43
NCSTN Q92542 3/20 0.43
APH1A Q96BI3 3/20 0.43
PSENEN Q9NZ42 3/20 0.43
PTGDR2 Q9Y5Y4 6/20 0.39
PTGER1 P34995 1/20 0.38
SLC6A9 P48067 1/20 0.38
CNR1 P21554 1/20 0.38
CASR P41180 2/20 0.38
MDM2 Q00987 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 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
SCHEMBL1203096 0.90 APP (0.72) APPAKR1C3AKR1C2PSEN1PSEN2
SCHEMBL1202688 0.90 APP (0.46) APPCNR1PDE4APDE4BPDE4C
SCHEMBL1202373 0.89 PSEN1 (0.48) APPAKR1C3AKR1C2PSEN1PSEN2
SCHEMBL3656692 0.88 APP (0.63) APPAKR1C3AKR1C2PSEN1PSEN2
SCHEMBL3661280 0.88 APP (0.59) APPAKR1C3AKR1C2PSEN1PSEN2
SCHEMBL1202341 0.88 APP (0.48) APPPTGER1CNR1
SCHEMBL1202951 0.88 APP (0.44) APPAKR1C3AKR1C2PDE4APDE4B
SCHEMBL1202426 0.88 PSEN1 (0.47) APPAKR1C3AKR1C2PSEN1PSEN2
SCHEMBL1201622 0.88 APP (0.45) APPPTGDR2PDE4B
SCHEMBL8054864 0.88 APP (0.52) APPAKR1C3AKR1C2PSEN1PSEN2

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.