SCHEMBL4492895

SCHEMBL4492895

CC(=O)Oc1c(C)cc(OCC=C(C)C)c(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
POLB P06746 1/20 0.42
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
PTGES O14684 3/20 0.39
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX5 P09917 2/20 0.37
TRPA1 O75762 1/20 0.37
MTNR1A P48039 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
PDE4B Q07343 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
SCHEMBL8600805 0.85 HTT (0.44) HTTPOLBPTGS1PTGS2KDM4E
SCHEMBL2910532 0.78 POLB (0.62) HTTPOLBKDM4ETP53GAA
SCHEMBL4040603 0.77 NPC1 (0.50) HTTPOLBKDM4ETP53GAA
SCHEMBL4040605 0.77 NPC1 (0.50) HTTPOLBKDM4ETP53GAA
SCHEMBL5561790 0.77 PTPN1 (0.56) PTGS1PTPN1
SCHEMBL5563077 0.77 PTPN1 (0.56) PTGS1PTPN1
SCHEMBL7096822 0.77 HTT (0.45) HTTPOLBKDM4ETP53GAA
SCHEMBL8600788 0.76 HTT (0.47) HTTPOLBKDM4ETP53GAA
SCHEMBL9053303 0.76 HTT (0.44) HTTPOLBKDM4ETP53GAA
SCHEMBL9015990 0.76 HTT (0.44) HTTPOLBPTGS2KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622591-B2 Route to α- tocopheryl alkanoates and percursors thereof DSM IP ASSETS B.V. (NL) 2009-11-24 US disclosed
US-20070032667-A1 Route to alpha-tocopheryl alkanoates and percursors thereof DSM IP ASSETS B.V. (NL) 2007-02-08 US disclosed
EP-1663937-A2 SYNTHESIS OF ALPHA-TOCOPHERYL ALKANOATES AND PRECURSORS THEREOF DSM IP Assets B.V. (NL) 2006-06-07 EP disclosed
WO-2005026142-A2 SYNTHESIS OF ALPHA-TOCOPHERYL ALKANOATES AND PRECURSORS THEREOF DSM IP ASSETS B.V. (NL) 2005-03-24 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 (1 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-20070032667-A1 Route to alpha-tocopheryl alkanoates and percursors thereof TTPA, VKORC1L1, VKORC1 HTT 3912/4885POLB 2039/4885PTGS1 282/4885

“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.