SCHEMBL3276566

SCHEMBL3276566

CC(=CCc1ccccc1C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.61
PDE4A P27815 1/20 0.61
SNCA P37840 1/20 0.61
PDE3A Q14432 1/20 0.61
PTPN1 P18031 3/20 0.54
PTPN2 P17706 1/20 0.39
CDC25B P30305 1/20 0.39
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
PSEN1 P49768 2/20 0.37
KDM1A O60341 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
LMNA P02545 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
SCHEMBL24074922 0.86 PTGS1 (0.58) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL31353034 0.82 PTGS1 (0.62) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL24075809 0.82 PTGS1 (0.62) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL9356468 0.82 PTGS1 (0.53) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL9356461 0.82 PTGS1 (0.53) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL7077134 0.79 PTPN1 (0.51) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL7048351 0.79 PTPN1 (0.51) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL1258943 0.78 PTGS1 (0.50) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL16466570 0.78 PTGS1 (0.47) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL16466568 0.78 PTGS1 (0.47) PTGS1PDE4ASNCAPDE3APTPN1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778661-B1 PROCESS FOR THE MANUFACTURE OF CHROMAN DERIVATIVES, ESPECIALLY ALPHA-TOCOPHEROL AND ALKANOATES THEREOF DSM IP ASSETS BV (NL) 2014-01-22 EP disclosed
US-8431727-B2 Process for the manufacture of chroman derivatives, especially α-tocopherol and alka-noates thereof DSM ASSETS B.V. (NL) 2013-04-30 US disclosed
CN-101704809-B Process for the manufacture of alkenylated hydroxylated aromatic compounds, of chroman compounds and of their acylated derivatives DSM IP ASSETS BV 2012-11-07 CN disclosed
CN-1968943-B Process for producing chroman derivatives, especially alpha-tocopherol and alkanoates thereof DSM IP ASSETS BV 2011-08-10 CN disclosed
CN-101704809-A Process for the manufacture of alkenylated hydroxylated aromatic compounds, of chroman compounds and of their acylated derivatives DSM IP ASSETS BV 2010-05-12 CN disclosed
US-7696364-B2 Process for the manufacture of alkenylated hydroxylated aromatic compounds, of chroman compounds and of their acylated derivatives DSM IP Assets B.V. a Netherlands Corporation (NL) 2010-04-13 US disclosed
CN-100586915-C Process for preparing alkenylated hydroxylated aromatic compounds, chroman compounds and acylated derivatives thereof DSM IP ASSETS BV 2010-02-03 CN disclosed
US-20090176998-A1 Process for the manufacture of chroman derivatives, especially alpha-tocopherol and alka-noates thereof DSM ASSETS B.V. (NL) 2009-07-09 US disclosed
EP-1689733-B1 PROCESS FOR THE MANUFACTURE OF ALKENYLATED HYDROXYLATED AROMATIC COMPOUNDS, OF CHROMAN COMPOUNDS AND OF THEIR ACYLATED DERIVATIVES DSM IP ASSETS BV (NL) 2008-10-15 EP disclosed
CN-1968943-A Process for producing chroman derivatives, especially alpha-tocopherol and alkanoates thereof DSM IP ASSETS BV (NL) 2007-05-23 CN disclosed
US-20020010347-A1 Preparation of d,l-alpha-tocopherol ROCHE VITAMINS INC. 2002-01-24 US disclosed
US-20010027255-A1 Tocopherol manufacture by tris(perfluorohydrocarbylsulphonyl) methane or metal methides thereof F. HOFFMANN-LA ROCHE AG 2001-10-04 US disclosed
EP-1134218-A1 Process for manufacturing (all-rac.)-alpha-Tocopherol F. HOFFMANN-LA ROCHE AG (CH) 2001-09-19 EP disclosed
US-6066745-A ACID-CATALYZED CONDENSATION OF TRIMETHYLHYDROQUINONE WITH ISOPHYTOL IN THE PRESENCE OF AT MOST 0.4 WEIGHT PERCENT BASED ON THE WEIGHT OF ISOPHYTOL OF A SULPHUR-CONTAINING ACID CATALYST ROCHE VITAMINS INC. (US) 2000-05-23 US disclosed
EP-1000940-A1 Process for manufacturing d,l-alpha-tocopherol F. HOFFMANN-LA ROCHE AG (CH) 2000-05-17 EP disclosed
EP-0970953-A1 Manufacture of d,1-alpha-tocopherol F. Hoffmann-La Roche AG (CH) 2000-01-12 EP disclosed
EP-0949255-A1 Process for manufacturing d, 1-alpha-tocopherol in a carbonate solvent and in the presence of a sulphur-containing acid catalyst F. HOFFMANN-LA ROCHE AG (CH) 1999-10-13 EP disclosed
EP-0937055-A2 PROCESS FOR MANUFACTURING d,1-ALPHA-TOCOPHEROL F. HOFFMANN-LA ROCHE AG (CH) 1999-08-25 EP disclosed
US-5908939-A CONDENSATION OF TRIMETHYLHYDROQUINONE WITH ISOPHYTOL COMPRISES CARRYING OUT THE CONDENSATION IN THE PRESENCE OF BIS-(TRIFLUOROMETHYLSULPHONYL)AMINE OR A METAL SALT THEREOF ROCHE VITAMINS INC. (US) 1999-06-01 US disclosed
WO-1998021197-A2 PROCESS FOR MANUFACTURING d,l-α-TOCOPHEROL F. HOFFMANN-LA ROCHE AG (CH) 1998-05-22 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-20010027255-A1 Tocopherol manufacture by tris(perfluorohydrocarbylsulphonyl) methane or metal methides thereof TTPA, TST, TTR PTGS1 558/4885PDE4A 4781/4885SNCA 2862/4885
US-20020010347-A1 Preparation of d,l-alpha-tocopherol NFE2L2, VDR, NDUFB3 PTGS1 1102/4885PDE4A 4850/4885SNCA 1798/4885
US-20090176998-A1 Process for the manufacture of chroman derivatives, especially alpha-tocopherol and alka-noates thereof TTPA, TCP1, TBL2 PTGS1 990/4885PDE4A 4382/4885SNCA 124/4885

“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.