SCHEMBL6074895

SCHEMBL6074895

COC(=O)CCc1cc2c(c(C(C)(C)C)c1)OC(=O)C2O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.38
PDE4D Q08499 2/20 0.38
VCAM1 P19320 1/20 0.34
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
AGTR1 P30556 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTPN1 P18031 2/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL19909636 0.88 GAA (0.37) GAAKMT2AMEN1MAOBMAOA
SCHEMBL19325320 0.81 GAA (0.39) GAAKMT2AMEN1PDE4DVCAM1
SCHEMBL6074348 0.80 GAA (0.37) GAAKMT2AMEN1PDE4DALDH1A1
SCHEMBL15430202 0.80 PDE4D (0.39) GAAKMT2AMEN1PDE4DMAOB
SCHEMBL19320502 0.79 GAA (0.39) GAAKMT2AMEN1PDE4DMAOB
SCHEMBL15430206 0.79 GAA (0.37) GAAKMT2AMEN1PDE4DMAOB
SCHEMBL19325319 0.77 KMT2A (0.35) GAAKMT2AMEN1PDE4DMAOB
SCHEMBL8521462 0.77 GAA (0.41) GAAKMT2AMEN1MAOBMAOA
SCHEMBL23925764 0.77 GAA (0.42) GAAKMT2AMEN1PDE4DVCAM1
SCHEMBL7636730 0.77 PTPN1 (0.44) GAAKMT2AMEN1PDE4DVCAM1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328218-B2 Polyglycol bis-[3-(7-tert-butyl-2-oxo-3-phenyl-3H-benzofuran-5-yl-)propanoyl] derivatives as stabilizers of organic material BASF SE (DE) 2016-05-03 US disclosed
US-9328218-B2 Polyglycol bis-[3-(7-tert-butyl-2-oxo-3-phenyl-3H-benzofuran-5-yl-)propanoyl] derivatives as stabilizers of organic material BASF SE (DE) 2016-05-03 US disclosed
US-20150191581-A1 POLYGLYCOL BIS-[3-(7-TERT-BUTYL-2-OXO-3-PHENYL-3H-BENZOFURAN-5-YL-)PROPANOYL] DERIVATIVES AS STABILIZERS OF ORGANIC MATERIAL BASF SE (DE) 2015-07-09 US disclosed
US-20150191581-A1 POLYGLYCOL BIS-[3-(7-TERT-BUTYL-2-OXO-3-PHENYL-3H-BENZOFURAN-5-YL-)PROPANOYL] DERIVATIVES AS STABILIZERS OF ORGANIC MATERIAL BASF SE (DE) 2015-07-09 US disclosed
WO-2014009361-A1 POLYGLYCOL BIS-[3-(7-TERT-BUTYL-2-OXO-3-PHENYL-3H-BENZOFURAN-5-YL-)PROPANOYL] DERIVATIVES AS STABILIZERS OF ORGANIC MATERIAL BASF SE (DE) 2014-01-16 WO disclosed
US-20070037979-A1 Preparation of rosuvastatin TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2007-02-15 US disclosed
US-7060425-B1 Color photographic material CIBA SPECIALTY CHEMICALS CORP. (US) 2006-06-13 US disclosed
EP-1131674-B1 COLOUR PHOTOGRAPHIC MATERIAL CIBA SC HOLDING AG (CH) 2005-07-27 EP disclosed
US-6533825-B2 For colouring/pigmenting high-molecular-weight organic material CIBA SPECIALTY CHEMICALS CORPORATION 2003-03-18 US disclosed
US-20020095046-A1 Dibenzonaphthyrones NESVADBA PETER (CH) 2002-07-18 US disclosed
EP-1015518-B1 ISOXINDIGOS USEFUL AS COLORANTS AND PREPARATION THEREOF CIBA SC HOLDING AG (CH) 2002-05-15 EP disclosed
US-6323267-B1 MIXING HIGH MOLECULAR WEIGHT ORGANIC OR INORGANIC MATERIAL WITH ISOXINDIGO COMPOUND CIBA SPECIALTY CHEMICALS CORP. 2001-11-27 US disclosed
EP-1131674-A1 COLOUR PHOTOGRAPHIC MATERIAL Ciba SC Holding AG (CH) 2001-09-12 EP disclosed
US-6281361-B1 COLORING, PIGMENTING CIBA SPECIALTY CHEMICALS CORP. 2001-08-28 US disclosed
EP-1095041-A2 DIBENZONAPHTHYRONES AND THEIR USE FOR COLOURING/PIGMENTING HIGH-MOLECULAR-WEIGHT ORGANIC MATERIAL Ciba SC Holding AG (CH) 2001-05-02 EP disclosed
EP-1015518-A1 ISOXINDIGOS USEFUL AS COLORANTS AND PREPARATION THEREOF Ciba SC Holding AG (CH) 2000-07-05 EP disclosed
WO-2000023849-A1 COLOUR PHOTOGRAPHIC MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-04-27 WO disclosed
WO-1999052909-A2 DIBENZONAPHTHYRONES AND THEIR USE FOR COLOURING/PIGMENTING HIGH-MOLECULAR-WEIGHT ORGANIC MATERIAL CIBA SPECIALTY CHEMICAL HOLDING INC. (CH) 1999-10-21 WO disclosed
WO-1999013007-A1 ISOXINDIGOS USEFUL AS COLORANTS AND PREPARATION THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-03-18 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 (3 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-20150191581-A1 POLYGLYCOL BIS-[3-(7-TERT-BUTYL-2-OXO-3-PHENYL-3H-BENZOFURAN-5-YL-)PROPANOYL] DERIVATIVES AS STABILIZERS OF ORGANIC MATERIAL H1-0, PCBP1, HEATR1 GAA 624/4885KMT2A 3824/4885MEN1 3355/4885
US-20020095046-A1 Dibenzonaphthyrones CYP1B1, CYP7B1, CYP1A1 GAA 1464/4885KMT2A 1512/4885MEN1 218/4885
US-20070037979-A1 Preparation of rosuvastatin HMGCR, PCSK9, PCSK7 GAA 1145/4885KMT2A 2464/4885MEN1 2530/4885

“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.