SCHEMBL2821844

SCHEMBL2821844

CCCCCCC(Br)C(=O)OCCC

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 2/20 0.70
LCK P06239 1/20 0.60
PPARD Q03181 1/20 0.60
ZDHHC20 Q5W0Z9 1/20 0.60
ZDHHC2 Q9UIJ5 1/20 0.60
FAAH O00519 1/20 0.47
MAPT P10636 1/20 0.46
GPR84 Q9NQS5 6/20 0.42
NAAA Q02083 1/20 0.42
DGKA P23743 1/20 0.42
FFAR1 O14842 1/20 0.42
EPHX1 P07099 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL6754117 0.92 ZDHHC7 (0.70) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL18831841 0.92 ZDHHC7 (0.70) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL8056261 0.92 ZDHHC7 (0.70) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL27043090 0.92 ZDHHC7 (0.70) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL8063027 0.92 ZDHHC7 (0.70) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL10709722 0.92 ZDHHC7 (0.58) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL31206776 0.89 ZDHHC7 (0.65) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL1415492 0.88 ZDHHC7 (0.63) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL4704070 0.86 ZDHHC7 (0.72) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL5708286 0.86 ZDHHC7 (0.72) ZDHHC7LCKPPARDZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112028741-B Electrolyte for ultrahigh-voltage aluminum electrolytic capacitor and preparation method and application thereof 上海交通大学 2021-06-08 CN claimed
CN-112028741-A Electrolyte for ultrahigh-voltage aluminum electrolytic capacitor and preparation method and application thereof 上海交通大学 2020-12-04 CN claimed
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 claimed
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 claimed
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 claimed
CN-101842363-A Process for preparing (6R) -3-hexyl-4-hydroxy-6-undecyl-5, 6-dihydropyran-2-one and intermediates used in the process HANMI PHARM IND CO LTD 2010-09-22 CN claimed
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 claimed
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 claimed
CN-112028741-B Electrolyte for ultrahigh-voltage aluminum electrolytic capacitor and preparation method and application thereof 上海交通大学 2021-06-08 CN disclosed
CN-112028741-A Electrolyte for ultrahigh-voltage aluminum electrolytic capacitor and preparation method and application thereof 上海交通大学 2020-12-04 CN disclosed
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

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 ZDHHC7 387/4885LCK 2855/4885PPARD 1452/4885

“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.