SCHEMBL2817552

SCHEMBL2817552

CCCCCCCCCCC[C@@H](O)CC(=O)C(CCCCCC)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.67
FFAR1 O14842 3/20 0.59
FFAR4 Q5NUL3 2/20 0.59
MAPT P10636 1/20 0.48
LCK P06239 1/20 0.48
PPARD Q03181 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
FAAH O00519 2/20 0.47
ACE2 Q9BYF1 1/20 0.46

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
SCHEMBL2066622 0.88 GPR84 (0.51) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL11967105 0.87 GPR84 (0.59) GPR84FFAR1FFAR4FAAH
SCHEMBL15527770 0.84 FFAR1 (0.68) GPR84FFAR1FFAR4FAAH
SCHEMBL19693898 0.84 FFAR1 (0.68) GPR84FFAR1FFAR4FAAH
SCHEMBL28022735 0.83 GPR84 (0.52) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL28022723 0.83 GPR84 (0.52) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL9457090 0.83 GPR84 (0.54) GPR84FFAR1FFAR4FAAH
SCHEMBL7101917 0.83 GPR84 (0.54) GPR84FFAR1FFAR4FAAH
SCHEMBL28769950 0.83 GPR84 (0.54) GPR84FFAR1FFAR4FAAH
SCHEMBL27506299 0.83 GPR84 (0.54) GPR84FFAR1FFAR4FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203434-B1 METHOD OF PREPARING (6R)-3-HEXYL-4-HYDROXY-6-UNDECYL-5,6-DIHYDROPYRAN-2-ONE, AND INTERMEDIATE USED IN THE METHOD HANMI HOLDINGS CO LTD (KR) 2012-08-29 EP disclosed
US-8242288-B2 Method of preparing (6R)-3-hexyl-4-hydroxy-6-undecyl-5, 6-dihydropyran-2-one, and intermediate used in the method HANMI HOLDINGS CO., LTD. (KR) 2012-08-14 US disclosed
US-20100274029-A1 METHOD OF PREPARING (6R)-3-HEXYL-4-HYDROXY-6-UNDECYL-5, 6-DIHYDROPYRAN-2-ONE, AND INTERMEDIATE USED IN THE METHOD HANMI PHARM. CO., LTD. (KR) 2010-10-28 US disclosed
EP-2203434-A2 METHOD OF PREPARING (6R)-3-HEXYL-4-HYDROXY-6-UNDECYL-5,6-DIHYDROPYRAN-2-ONE, AND INTERMEDIATE USED IN THE METHOD Hanmi Pharm. Co., Ltd. (KR) 2010-07-07 EP disclosed
WO-2009057938-A2 METHOD OF PREPARING (6R)-3-HEXYL-4-HYDROXY-6-UNDECYL-5,6-DIHYDROPYRAN-2-ONE, AND INTERMEDIATE USED IN THE METHOD HANMI PHARM. CO., LTD. (KR) 2009-05-07 WO disclosed
EP-1127886-B1 Synthesis of 3,6-dialkyl-5,6-dihydro-4-hydroxy-2H-pyran-2one HOFFMANN LA ROCHE (CH) 2003-05-07 EP disclosed
US-6552204-B1 Lactonization of an acyl halide and a ketene acetal or reacting acyl halide with malonate half acid then cyclizing; high yield ROCHE COLORADO CORPORATION 2003-04-22 US disclosed
CN-1319596-A Synthesis of 3,6-dialkyl 5,6-dihydro-4-hydroxide-2H-pyran-2-ketone HOFFMANN LA ROCHE (CH) 2001-10-31 CN disclosed
EP-1127886-A1 Synthesis of 3,6-dialkyl-5,6-dihydro-4-hydroxy-2H-pyran-2one F. HOFFMANN-LA ROCHE AG (CH) 2001-08-29 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 (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-20100274029-A1 METHOD OF PREPARING (6R)-3-HEXYL-4-HYDROXY-6-UNDECYL-5, 6-DIHYDROPYRAN-2-ONE, AND INTERMEDIATE USED IN THE METHOD DHCR7, DHPS, CYP8B1 GPR84 4041/4885FFAR1 179/4885FFAR4 182/4885

“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.