SCHEMBL1202763

SCHEMBL1202763

CC(C)CC(C(=O)O)c1ccc(-c2ccc(Cl)c(Cl)c2)c(OCC2CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.58
AKR1C3 P42330 5/20 0.53
AKR1C2 P52895 5/20 0.53
GRM2 Q14416 1/20 0.44
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
KMO O15229 2/20 0.43
CNR2 P34972 3/20 0.42
FFAR4 Q5NUL3 1/20 0.40
CNR1 P21554 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38

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
SCHEMBL1203137 0.94 APP (0.58) APPAKR1C3AKR1C2GRM2PSEN1
SCHEMBL1202892 0.90 APP (0.59) APPAKR1C3AKR1C2GRM2PSEN1
SCHEMBL1203093 0.89 AKR1C3 (0.49) APPAKR1C3AKR1C2GRM2PSEN1
SCHEMBL3661756 0.89 APP (0.58) APPAKR1C3AKR1C2GRM2PSEN1
SCHEMBL1203108 0.86 APP (0.56) APPAKR1C3AKR1C2PSEN1PSEN2
SCHEMBL1202349 0.84 APP (0.59) APPGRM2PSEN1PSEN2APH1B
SCHEMBL1201592 0.84 APP (0.52) APPAKR1C3AKR1C2GRM2PSEN1
SCHEMBL1201218 0.83 APP (0.72) APPAKR1C3AKR1C2PSEN1PSEN2
SCHEMBL1201392 0.83 AKR1C3 (0.60) APPAKR1C3AKR1C2PSEN1PSEN2
SCHEMBL1202513 0.83 APP (0.56) APPAKR1C3AKR1C2GRM2PSEN1

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 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.