SCHEMBL2138794

SCHEMBL2138794

COc1c(CC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)cc(O)c(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.50
PTGS1 P23219 1/20 0.47
PDE4A P27815 1/20 0.47
SNCA P37840 1/20 0.47
PDE3A Q14432 1/20 0.47
IMPDH2 P12268 9/20 0.46
TRPV1 Q8NER1 1/20 0.43
PSEN1 P49768 2/20 0.39
PTPN2 P17706 1/20 0.38
CDC25B P30305 1/20 0.38
APP P05067 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
SCHEMBL1269129 0.87 PTPN1 (0.50) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL1269133 0.87 PTPN1 (0.50) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL7048351 0.83 PTPN1 (0.51) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL7077134 0.83 PTPN1 (0.51) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL3272236 0.83 TRPV1 (0.47) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL7143550 0.82 PTPN1 (0.52) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL14283772 0.81 PTGS1 (0.42) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL2166287 0.78 PTGS1 (0.45) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL16435130 0.78 PTPN1 (0.51) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL14283790 0.77 PTGS1 (0.43) PTPN1PTGS1PDE4ASNCAPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7626046-B2 Isolated, purified phytyltrimethylhydroquinone is cyclized to alpha-tocopherol with use of acid catalyst such as sulfuric acid, phosphoric acid, a polyperfluoroalkylenesulphonic acid, a heteropoly acid, zinc chloride, boron trifluoride, aluminium trichloride, or a mixture DSM IP ASSETS B.V. (NL) 2009-12-01 US claimed
US-20050187393-A1 Isolated, purified phytyltrimethylhydroquinone is cyclized to alpha-tocopherol with use of acid catalyst such as sulfuric acid, phosphoric acid, a polyperfluoroalkylenesulphonic acid, a heteropoly acid, zinc chloride, boron trifluoride, aluminium trichloride, or a mixture DSM IP ASSETS B.V. (NL) 2005-08-25 US claimed
EP-1446398-B1 MANUFACTURE OF ALPHA- TOCOPHEROL DSM IP ASSETS BV (NL) 2005-04-13 EP claimed
EP-1446398-A1 MANUFACTURE OF ALPHA- TOCOPHEROL DSM IP Assets B.V. (NL) 2004-08-18 EP claimed
WO-2003037883-A1 MANUFACTURE OF ALPHA- TOCOPHEROL DSM IP ASSETS B.V. (NL) 2003-05-08 WO claimed
EP-3652162-B1 NOVEL SYNTHESIS OF INTERMEDIATES FOR THE PREPARATION OF ALPHA-TOCOPHEROL DSM IP ASSETS BV (NL) 2023-02-22 EP disclosed
US-8664264-B2 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2014-03-04 US disclosed
US-20120251616-A1 Tocopherols, Tocotrienols, Other Chroman and Side Chain Derivatives and Uses Thereof SANDERS BOB G (US) 2012-10-04 US disclosed
US-8148424-B2 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2012-04-03 US disclosed
US-20100303899-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF SANDERS BOB G 2010-12-02 US disclosed
US-7718814-B2 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof RESEARCH DEVELOPMENT FOUNDATION (US) 2010-05-18 US disclosed
US-7626046-B2 Isolated, purified phytyltrimethylhydroquinone is cyclized to alpha-tocopherol with use of acid catalyst such as sulfuric acid, phosphoric acid, a polyperfluoroalkylenesulphonic acid, a heteropoly acid, zinc chloride, boron trifluoride, aluminium trichloride, or a mixture DSM IP ASSETS B.V. (NL) 2009-12-01 US disclosed
US-20040097431-A1 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof RESEARCH DEVELOPMENT FOUNDATION 2004-05-20 US disclosed
US-6703384-B2 2,5,7,8-TETRAMETHYL-2R-(4,8,12-TRIMETHYL-3,7,11 E:Z TRIDECATRIEN)CHROMAN-6-YLOXY) ACETIC ACID FOR EXAMPLE; USE AS ANTIPROLIFERATIVE AGENT RESEARCH DEVELOPMENT FOUNDATION 2004-03-09 US disclosed
WO-2003037883-A1 MANUFACTURE OF ALPHA- TOCOPHEROL DSM IP ASSETS B.V. (NL) 2003-05-08 WO disclosed
WO-2003037883-A1 MANUFACTURE OF ALPHA- TOCOPHEROL DSM IP ASSETS B.V. (NL) 2003-05-08 WO disclosed
EP-1254130-A4 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RES DEV FOUNDATION (US) 2003-04-23 EP disclosed
EP-1254130-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2002-11-06 EP disclosed
US-20020107207-A1 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof RESEARCH DEVELOPMENT FOUNDATION 2002-08-08 US disclosed
WO-2001058889-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2001-08-16 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 (5 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-20050187393-A1 Isolated, purified phytyltrimethylhydroquinone is cyclized to alpha-tocopherol with use of acid catalyst such as sulfuric acid, phosphoric acid, a polyperfluoroalkylenesulphonic acid, a heteropoly acid, zinc chloride, boron trifluoride, aluminium trichloride, or a mixture TTPA, ROR1, RORC PTPN1 2192/4885PTGS1 2175/4885PDE4A 4780/4885
US-20100303899-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF TST, TXNRD3, TXNRD1 PTPN1 2856/4885PTGS1 373/4885PDE4A 4843/4885
US-20040097431-A1 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof TST, HCCS, TXNRD3 PTPN1 2209/4885PTGS1 131/4885PDE4A 4783/4885
US-20020107207-A1 Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof TST, HCCS, TXNRD3 PTPN1 2209/4885PTGS1 131/4885PDE4A 4783/4885
US-20120251616-A1 Tocopherols, Tocotrienols, Other Chroman and Side Chain Derivatives and Uses Thereof TST, TXNRD3, TXNRD1 PTPN1 2856/4885PTGS1 373/4885PDE4A 4843/4885

“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.