SCHEMBL1202605

SCHEMBL1202605

CC(C)CC(C(=O)O)c1ccc(-c2ccc3nonc3c2)c(OCC2CC2)c1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.73
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
ACACA Q13085 4/20 0.36
GRM2 Q14416 1/20 0.36
KMO O15229 2/20 0.36
CNR2 P34972 3/20 0.36
ACACB O00763 3/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
PTPN11 Q06124 3/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL1203173 0.94 APP (0.73) APPAKR1C3AKR1C2ACACAGRM2
SCHEMBL1202854 0.90 APP (0.60) APPAKR1C3AKR1C2ACACAKMO
SCHEMBL1202513 0.86 APP (0.56) APPAKR1C3AKR1C2ACACAGRM2
SCHEMBL3715858 0.86 APP (0.75) APPAKR1C3AKR1C2GRM2KMO
SCHEMBL3712241 0.86 APP (0.63) APPCNR2
SCHEMBL1202550 0.85 APP (0.61) APPACACAGRM2KMOCNR2
SCHEMBL1202551 0.85 APP (0.61) APPAKR1C3AKR1C2ACACAGRM2
SCHEMBL1201934 0.85 APP (0.56) APPAKR1C3AKR1C2PSEN1PSEN2
SCHEMBL3654568 0.84 APP (1.00) APPAKR1C3AKR1C2ACACAGRM2
SCHEMBL1203184 0.83 APP (0.59) APPAKR1C3AKR1C2ACACAKMO

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 4/4885AKR1C3 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.