SCHEMBL1201622

SCHEMBL1201622

CCOC(=O)C(CC(C)C)c1ccc(OCC2CC2)c(-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.45
C5AR1 P21730 1/20 0.41
GPR88 Q9GZN0 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
PDE4B Q07343 2/20 0.39
BRD4 O60885 2/20 0.38
FFAR1 O14842 2/20 0.37
CNR2 P34972 2/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
PPARD Q03181 1/20 0.36

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
SCHEMBL1201791 0.91 APP (0.42) APPPTGDR2PDE4BBRD4FFAR1
SCHEMBL1202688 0.90 APP (0.46) APPPDE4BBRD4CNR2LMNA
SCHEMBL1202341 0.90 APP (0.48) APPBRD4CNR2LMNAMAPT
SCHEMBL1202951 0.90 APP (0.44) APPPDE4BBRD4CNR2IKBKB
SCHEMBL1201823 0.89 APP (0.55) APPC5AR1GPR88PTGDR2PDE4B
SCHEMBL1202424 0.89 BRD4 (0.41) APPBRD4FFAR1LMNAPPARD
SCHEMBL1203008 0.89 APP (0.43) APPGPR88PTGDR2PDE4BBRD4
SCHEMBL1202972 0.88 APP (0.43) APPPTGDR2BRD4
SCHEMBL1202280 0.88 APP (0.43) APPPDE4BBRD4CNR2
SCHEMBL1202249 0.88 BRD4 (0.49) APPPTGDR2BRD4

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 4/4885C5AR1 4295/4885GPR88 1069/4885
US-20140187786-A1 1,3,4-TRISUBSTITUTED BENZENES BACE1, BACE2, PSEN1 APP 4/4885C5AR1 4295/4885GPR88 1069/4885

“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.