SCHEMBL723703

SCHEMBL723703

Cc1c(C)c(O)c(CC(=O)O)c(C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.40
IMPDH2 P12268 3/20 0.36
KDM4E B2RXH2 5/20 0.35
GAA P10253 4/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CA2 P00918 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FASN P49327 1/20 0.33
AKR1C2 P52895 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL20101104 0.91 AKR1B1 (0.40) AKR1B1IMPDH2KDM4EGAAMAPT
SCHEMBL10000754 0.85 AKR1B1 (0.36) AKR1B1IMPDH2KDM4EGAAMAPT
SCHEMBL11744319 0.76 AKR1B1 (0.42) AKR1B1KDM4EGAAMAPTALDH1A1
SCHEMBL9848754 0.76 HDAC11 (0.41) AKR1B1IMPDH2ALDH1A1MEN1KMT2A
SCHEMBL12042065 0.74 AKR1B1 (0.41) AKR1B1IMPDH2KDM4EGAAMAPT
SCHEMBL11803971 0.73 AKR1B1 (0.44) AKR1B1KDM4EGAAMAPTALDH1A1
SCHEMBL8824097 0.73 KDM4E (0.39) AKR1B1IMPDH2KDM4EGAAMAPT
SCHEMBL7328569 0.73 TSHR (0.46) MAPTALDH1A1MEN1KMT2AHSD17B10
SCHEMBL10386355 0.71 CYP2C19 (0.43) MAPTCYP1A2CYP3A4CYP2C19CASP7
SCHEMBL30940421 0.71 AKR1B1 (0.42) AKR1B1KDM4EGAAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583753-A1 PROCESS FOR THE MANUFACTURE OF ALPHA-TOCOPHERYL ACETATE DSM IP Assets B.V. (NL) 2005-10-12 EP claimed
EP-1562929-A1 MANUFACTURE OF TOCOPHERYL ACETATE DSM IP Assets B.V. (NL) 2005-08-17 EP claimed
WO-2004063182-A1 PROCESS FOR THE MANUFACTURE OF α-TOCOPHERYL ACETATE DSM IP ASSETS B.V. (NL) 2004-07-29 WO claimed
WO-2004046126-A1 MANUFACTURE OF TOCOPHERYL ACETATE DSM IP ASSETS B.V. (NL) 2004-06-03 WO claimed
EP-2609063-B1 PROCESS FOR THE MANUFACTURE OF 3,7-DIMETHYL-1-OCTEN-3-OL DSM IP ASSETS BV (NL) 2018-05-16 EP disclosed
CN-100503593-C Manufacture of tocopheryl acetate DSM IP ASSETS BV (NL) 2009-06-24 CN disclosed
EP-1562929-B1 MANUFACTURE OF TOCOPHERYL ACETATE DSM IP ASSETS BV (NL) 2007-11-14 EP disclosed
US-20070112206-A1 Manufacture of tocopheryl acetate BONRATH WERNER 2007-05-17 US disclosed
EP-1778661-A1 PROCESS FOR THE MANUFACTURE OF CHROMAN DERIVATIVES, ESPECIALLY ALPHA-TOCOPHEROL AND ALKANOATES THEREOF DSMIP Assets B.V. (NL) 2007-05-02 EP disclosed
EP-1663937-A2 SYNTHESIS OF ALPHA-TOCOPHERYL ALKANOATES AND PRECURSORS THEREOF DSM IP Assets B.V. (NL) 2006-06-07 EP disclosed
EP-1641772-A1 MANUFACTURE OF TOCOPHEROLS USING A BISMUTH CATALYST DSM IP Assets B.V. (NL) 2006-04-05 EP disclosed
WO-2005121115-A1 PROCESS FOR THE MANUFACTURE OF CHROMAN DERIVATIVES, ESPECIALLY α-TOCOPHEROL AND ALKANOATES THEREOF DSM IP ASSETS B.V. (NL) 2005-12-22 WO disclosed
EP-1583753-A1 PROCESS FOR THE MANUFACTURE OF ALPHA-TOCOPHERYL ACETATE DSM IP Assets B.V. (NL) 2005-10-12 EP disclosed
EP-1562929-A1 MANUFACTURE OF TOCOPHERYL ACETATE DSM IP Assets B.V. (NL) 2005-08-17 EP disclosed
EP-1562929-A1 MANUFACTURE OF TOCOPHERYL ACETATE DSM IP Assets B.V. (NL) 2005-08-17 EP disclosed
WO-2005026142-A2 SYNTHESIS OF ALPHA-TOCOPHERYL ALKANOATES AND PRECURSORS THEREOF DSM IP ASSETS B.V. (NL) 2005-03-24 WO disclosed
WO-2005005407-A1 MANUFACTURE OF TOCOPHEROLS USING A BISMUTH CATALYST DSM IP ASSETS B.V. (NL) 2005-01-20 WO disclosed
WO-2004063182-A1 PROCESS FOR THE MANUFACTURE OF α-TOCOPHERYL ACETATE DSM IP ASSETS B.V. (NL) 2004-07-29 WO disclosed
WO-2004046126-A1 MANUFACTURE OF TOCOPHERYL ACETATE DSM IP ASSETS B.V. (NL) 2004-06-03 WO disclosed
WO-2004046126-A1 MANUFACTURE OF TOCOPHERYL ACETATE DSM IP ASSETS B.V. (NL) 2004-06-03 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-20070112206-A1 Manufacture of tocopheryl acetate TTPA, VKORC1L1, NR1H2 AKR1B1 144/4885IMPDH2 577/4885KDM4E 938/4885

“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.