SCHEMBL1202425

SCHEMBL1202425

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.41
AKR1C3 P42330 4/20 0.40
AKR1C2 P52895 4/20 0.40
BRD4 O60885 1/20 0.40
FFAR1 O14842 4/20 0.38
PPARD Q03181 3/20 0.38
PTGS2 P35354 1/20 0.38
PDE4D Q08499 1/20 0.36
CHRM3 P20309 4/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C1 Q04828 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL1201623 0.91 APP (0.44) APPFFAR1ACACBACACA
SCHEMBL1201792 0.90 AKR1C3 (0.40) APPAKR1C3AKR1C2FFAR1PPARD
SCHEMBL1202689 0.90 APP (0.47) APPAKR1C3AKR1C2PTGS2PDE4D
SCHEMBL1203233 0.90 APP (0.50) APPAKR1C3AKR1C2BRD4FFAR1
SCHEMBL1202655 0.86 AKR1C3 (0.51) APPAKR1C3AKR1C2PTGS2
SCHEMBL1202952 0.84 APP (0.45) APPAKR1C3AKR1C2PDE4DKDM4C
SCHEMBL1202343 0.84 APP (0.49) APP
SCHEMBL1203009 0.84 APP (0.44) APPAKR1C3AKR1C2PDE4DAKR1B10
SCHEMBL1202974 0.83 APP (0.43) APPBRD4PDE4D
SCHEMBL1202250 0.82 BRD4 (0.46) APPBRD4PTGS2

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.