SCHEMBL4495767

SCHEMBL4495767

CCC=COc1cc(C)c(OC(C)=O)c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.43
POLB P06746 1/20 0.41
HSD17B10 Q99714 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.34
ALOX5 P09917 2/20 0.33
PTPN1 P18031 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
ACHE P22303 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31

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
SCHEMBL4495765 1.00 HTT (0.43) HTTPOLBHSD17B10KDM4EMAPT
SCHEMBL8600788 0.78 HTT (0.47) HTTPOLBHSD17B10KDM4EMAPT
SCHEMBL2910532 0.77 POLB (0.62) HTTPOLBHSD17B10KDM4EMAPT
SCHEMBL13954030 0.74 POLB (0.54) HTTPOLBHSD17B10KDM4EMAPT
SCHEMBL14407309 0.72 HTT (0.59) HTTPOLBHSD17B10KDM4EMAPT
SCHEMBL5511908 0.72 PTGS2 (0.46) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL5511903 0.72 PTGS2 (0.46) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL8600805 0.72 HTT (0.44) HTTPOLBHSD17B10KDM4EMAPT
SCHEMBL4492895 0.72 HTT (0.44) HTTPOLBHSD17B10KDM4EMAPT
SCHEMBL10941837 0.71 KDM4E (0.49) HTTPOLBHSD17B10KDM4EMAPT

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 2039/4885HSD17B10 344/4885

“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.