SCHEMBL721909

SCHEMBL721909

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.59
KDM4E B2RXH2 2/20 0.59
HSD17B10 Q99714 2/20 0.59
TP53 P04637 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PREP P48147 3/20 0.40
CELA1 Q9UNI1 2/20 0.40
KDR P35968 1/20 0.40
LMNA P02545 3/20 0.36
CYP3A4 P08684 2/20 0.36
ACHE P22303 3/20 0.36
BACE1 P56817 1/20 0.36
IDO1 P14902 1/20 0.35
SLC37A4 O43826 1/20 0.35

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
SCHEMBL8377612 0.84 HTT (0.54) HTTKDM4EHSD17B10TP53GAA
SCHEMBL10941837 0.83 KDM4E (0.49) HTTKDM4EHSD17B10TP53GAA
SCHEMBL4479467 0.83 HTT (0.54) HTTKDM4EHSD17B10TP53GAA
SCHEMBL10624847 0.83 KDM4E (0.52) HTTKDM4EHSD17B10TP53GAA
SCHEMBL15388660 0.82 HTT (0.41) HTTKDM4EHSD17B10TP53GAA
SCHEMBL9596191 0.82 HTT (0.47) HTTKDM4EHSD17B10TP53GAA
SCHEMBL2910532 0.82 POLB (0.62) HTTKDM4EHSD17B10TP53GAA
SCHEMBL3609168 0.78 HTT (0.45) HTTKDM4EHSD17B10TP53GAA
SCHEMBL13954030 0.78 POLB (0.54) HTTKDM4EHSD17B10TP53GAA
SCHEMBL8377613 0.78 POLB (0.49) HTTKDM4EHSD17B10TP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609063-B1 PROCESS FOR THE MANUFACTURE OF 3,7-DIMETHYL-1-OCTEN-3-OL DSM IP ASSETS BV (NL) 2018-05-16 EP claimed
US-8546621-B2 Process for the manufacture of 3,7-dimethyl-1-octen-3-ol DSM IP ASSETS B.V. (NL) 2013-10-01 US claimed
US-20120053353-A1 PROCESS FOR THE MANUFACTURE OF 3,7-DIMETHYL-1-OCTEN-3-OL DSM IP ASSETS B.V. (NL) 2012-03-01 US claimed
EP-1583753-B1 PROCESS FOR THE MANUFACTURE OF ALPHA-TOCOPHERYL ACETATE DSM IP ASSETS BV (NL) 2010-07-21 EP claimed
EP-1641772-B1 MANUFACTURE OF TOCOPHEROLS USING A BISMUTH CATALYST DSM IP ASSETS BV (NL) 2008-12-31 EP claimed
EP-1562929-B1 MANUFACTURE OF TOCOPHERYL ACETATE DSM IP ASSETS BV (NL) 2007-11-14 EP claimed
US-7169943-B2 Manufacture of tocopheryl acetate DSM IP ASSETS B.V. (NL) 2007-01-30 US claimed
US-7135580-B2 Process for the manufacture of α-tocopheryl acetate DSM IP ASSETS B.V. (NL) 2006-11-14 US claimed
US-20060094886-A1 Catalytic reaction of alkylation with sulfur containing compound esterification and hydrogenation after ring closure DSM IP ASSETS B.V. (NL) 2006-05-04 US claimed
EP-1641772-A1 MANUFACTURE OF TOCOPHEROLS USING A BISMUTH CATALYST DSM IP Assets B.V. (NL) 2006-04-05 EP claimed
US-20060052618-A1 Process for the manufacture of alpha-tocopheryl acetate DSM ASSETS B.V. (NL) 2006-03-09 US claimed
EP-1562929-A1 MANUFACTURE OF TOCOPHERYL ACETATE DSM IP Assets B.V. (NL) 2005-08-17 EP claimed
WO-2005005407-A1 MANUFACTURE OF TOCOPHEROLS USING A BISMUTH CATALYST DSM IP ASSETS B.V. (NL) 2005-01-20 WO claimed
WO-2004046126-A1 MANUFACTURE OF TOCOPHERYL ACETATE DSM IP ASSETS B.V. (NL) 2004-06-03 WO claimed
US-6441249-B2 ACID CATALYSIS OF ISOPHERONE, DISTILLATION, OXIDATION IN AMORPHOUS CARBON AND BASE FORMING 4-OXOISOPHORONE WHICH REACTS WITH ACID ANHYDRIDE/CARBOXYLIC ACID TO FORM COMPOUND HYDROLYZED TO TRIMETHYLHYDROQUINONE; EFFICIENCY; VITAMIN E NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 2002-08-27 US claimed
US-6320086-B1 REACTING ISOPHORONE OVER ACID CATALYST, DISTILLING FORMED BETA-ISOPHORONE, OXIDIZING IN PRESENCE OF AMORPHOUS CARBON AND BASE TO 4-OXOISOPHORONE, REACTING IN VAPOR PHASE WITH CARBOXYLIC ACID USING SOLID ACID CATALYST, HYDROLYZING ESTER NIPPON PETROCHEMICALS COMPANY LIMITED (JP) 2001-11-20 US claimed
US-20010039366-A1 Method for producing trimethylhydroquinone NIPPON PETROCHEMICALS COMPANY LIMITED 2001-11-08 US claimed
US-6211418-B1 DISTILLING ISOPHORONE WITH ACID CATALYST TO RECOVER BETA-ISOPHORONE, OXIDIZING IN PRESENCE OF AMORPHOUS CARBON AND BASE TO 4-OXOISOPHORONE, REACTING IN VAPOR PHASE WITH CARBOXYLIC ACID USING SOLID ACID CATALYST, HYDROLYZING NIPPON PETROCHEMICALS COMPANY LIMITED (JP) 2001-04-03 US claimed
JP-11049711-A None JP disclosed
EP-0015562-A1 Process for preparing chroman derivatives BASF Aktiengesellschaft (DE) 1980-09-17 EP 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-20010039366-A1 Method for producing trimethylhydroquinone APEH, CYP46A1, MSMO1 HTT 2203/4885KDM4E 449/4885HSD17B10 33/4885
US-20060094886-A1 Catalytic reaction of alkylation with sulfur containing compound esterification and hydrogenation after ring closure TTPA, VKORC1L1, GSTO1 HTT 4512/4885KDM4E 1252/4885HSD17B10 272/4885
US-20060052618-A1 Process for the manufacture of alpha-tocopheryl acetate ELOVL3, CYP4F3, COXFA4 HTT 2168/4885KDM4E 2015/4885HSD17B10 407/4885

“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.