SCHEMBL1203233

SCHEMBL1203233

CC(C)CC(C(=O)O)c1ccc(OCC2CC2)c(-c2cccc(F)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.50
BRD4 O60885 1/20 0.43
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
FFAR1 O14842 5/20 0.41
PPARD Q03181 4/20 0.41
PTGS2 P35354 1/20 0.39
PDE4D Q08499 1/20 0.39
ACACB O00763 2/20 0.38
ACACA Q13085 2/20 0.38
FAAH O00519 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
DHODH Q02127 1/20 0.37
CTSA P10619 1/20 0.37
PTGIR P43119 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
SCHEMBL1202425 0.90 APP (0.41) APPBRD4AKR1C3AKR1C2FFAR1
SCHEMBL1201823 0.90 APP (0.55) APPBRD4AKR1C3AKR1C2FFAR1
SCHEMBL1202424 0.90 BRD4 (0.41) APPBRD4FFAR1PPARDPTGS2
SCHEMBL1203130 0.89 APP (0.49) APPBRD4AKR1C3AKR1C2FFAR1
SCHEMBL1203171 0.89 APP (0.57) APPBRD4PTGS2PDE4DACACB
SCHEMBL1202762 0.85 AKR1C3 (0.53) APPBRD4AKR1C3AKR1C2ACACB
SCHEMBL1203137 0.84 APP (0.58) APPAKR1C3AKR1C2PDE4DACACB
SCHEMBL1202349 0.83 APP (0.59) APPBRD4ACACBACACA
SCHEMBL8043364 0.83 APP (0.55) APPBRD4AKR1C3AKR1C2PDE4D
SCHEMBL1203108 0.83 APP (0.56) APPAKR1C3AKR1C2PDE4DACACB

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 8 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-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
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
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 4/4885BRD4 19/4885AKR1C3 3717/4885
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 APP 4/4885BRD4 19/4885AKR1C3 3717/4885

“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.