SCHEMBL2823595

SCHEMBL2823595

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.58
LCK P06239 1/20 0.54
PPARD Q03181 1/20 0.54
ZDHHC20 Q5W0Z9 1/20 0.54
ZDHHC2 Q9UIJ5 1/20 0.54
GPR84 Q9NQS5 7/20 0.53
MAPK1 P28482 4/20 0.44
GMNN O75496 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
CYP1A2 P05177 3/20 0.44
MEN1 O00255 2/20 0.44
HSP90AA1 P07900 2/20 0.44
BLM P54132 2/20 0.44
KMT2A Q03164 2/20 0.44
NR1H4 Q96RI1 2/20 0.44
TP53 P04637 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL2823598 1.00 ZDHHC7 (0.58) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL2823597 1.00 ZDHHC7 (0.58) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL29272710 0.89 ZDHHC7 (0.68) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL9834524 0.86 GPR84 (0.51) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL9833428 0.86 GPR84 (0.51) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL9069861 0.85 ZDHHC7 (0.64) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL9069864 0.85 ZDHHC7 (0.64) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL5975489 0.85 ZDHHC7 (0.64) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL21550736 0.83 GPR84 (0.54) ZDHHC7GPR84MAPK1GMNNLMNA
SCHEMBL21550757 0.83 GPR84 (0.54) ZDHHC7GPR84MAPK1GMNNLMNA

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 17 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-1255747-B1 SYNTHESIS OF 3,6-DIALKYL-5,6-DIHYDRO-4-HYDROXY-PYRAN-2-ONE HOFFMANN LA ROCHE (CH) 2006-10-04 EP disclosed
CN-1680347-A Synthesis of 3,6-dialkyl-5,6-dihydro-4-hydroxy-pyran-2-ketone ROCHE COLORADO CORP (CH) 2005-10-12 CN disclosed
US-6858749-B2 Process for enantioselectively producing the (R)-delta-lactone ROCHE COLORADO CORPORATION (US) 2005-02-22 US disclosed
US-6818789-B2 ENANTIOSELECTIVE PROCESS ROCHE COLORADO CORPORATION 2004-11-16 US disclosed
US-6743927-B2 PROCESS FOR ENANTIOSELECTIVELY PRODUCING THE (R)-DELTA-LACTONE ROCHE COLORADO CORPORATION 2004-06-01 US disclosed
US-20030171602-A1 Synthesis of 3,6-dialkyl-5,6-dihydro-4-hydroxy-pyran-2-one ROCHE COLORADO CORPORATION 2003-09-11 US disclosed
US-20030158423-A1 Synthesis of 3,6-dialkyl-5,6-dihydro-4-hydroxy-pyran-2-one ROCHE COLORADO CORPORATION (US) 2003-08-21 US disclosed
US-20030158422-A1 Process for enantioselectively producing the (R)-delta-lactone ROCHE COLORADO CORPORATION 2003-08-21 US disclosed
US-6545165-B1 Cyclization ROCHE COLORADO CORPORATION 2003-04-08 US disclosed
CN-1396919-A Synthesis method of 3, 6-dialkyl-5, 6-dihydro-4-hydroxy-pyran-2-ketone HOFFMANN LA ROCHE (CH) 2003-02-12 CN disclosed
EP-1255747-A2 SYNTHESIS OF 3,6-DIALKYL-5,6-DIHYDRO-4-HYDROXY-PYRAN-2-ONE F. HOFFMANN-LA ROCHE AG (CH) 2002-11-13 EP disclosed
WO-2001057014-A2 SYNTHESIS OF 3,6-DIALKYL-5,6-DIHYDRO-4-HYDROXY-PYRAN-2-ONE F. HOFFMANN-LA ROCHE AG (CH) 2001-08-09 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 (4 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 ZDHHC7 387/4885LCK 2855/4885PPARD 1452/4885
US-20030158422-A1 Process for enantioselectively producing the (R)-delta-lactone DCXR, CYP51A1, RIOX2 ZDHHC7 335/4885LCK 4812/4885PPARD 3694/4885
US-20030171602-A1 Synthesis of 3,6-dialkyl-5,6-dihydro-4-hydroxy-pyran-2-one DHPS, HACL2, CYP8B1 ZDHHC7 199/4885LCK 4193/4885PPARD 2084/4885
US-20030158423-A1 Synthesis of 3,6-dialkyl-5,6-dihydro-4-hydroxy-pyran-2-one DHPS, HACL2, CYP8B1 ZDHHC7 199/4885LCK 4193/4885PPARD 2084/4885

“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.