SCHEMBL2180502

SCHEMBL2180502

CCCCCCCCCCCCCCC(Br)C(=O)OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 2/20 1.00
LCK P06239 1/20 0.62
PPARD Q03181 1/20 0.62
ZDHHC20 Q5W0Z9 1/20 0.62
ZDHHC2 Q9UIJ5 1/20 0.62
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
FAAH O00519 4/20 0.49
ABCB1 P08183 1/20 0.47
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
GPR84 Q9NQS5 5/20 0.44
FFAR1 O14842 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
MAPT P10636 1/20 0.42
EPHX1 P07099 1/20 0.42
BIRC2 Q13490 1/20 0.42

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
SCHEMBL9654828 1.00 ZDHHC7 (1.00) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL9642099 1.00 ZDHHC7 (1.00) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL7760363 1.00 ZDHHC7 (1.00) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL10979746 1.00 ZDHHC7 (1.00) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL2817825 1.00 ZDHHC7 (1.00) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL1566194 0.98 ZDHHC7 (0.96) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL873757 0.92 ZDHHC7 (0.85) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL7951119 0.92 ZDHHC7 (0.85) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL27837692 0.92 ZDHHC7 (0.84) ZDHHC7LCKPPARDZDHHC20ZDHHC2
Dodecanoate SCHEMBL28459049 0.90 ZDHHC7 (0.81) 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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105498623-B Viscoelastic solution prepared with negative ion dimeric surfactant 16-S-16 as raw material and preparation method and application of negative ion dimeric surfactant 16-S-16 宁德师范学院 2017-05-24 CN claimed
CN-103910738-B A kind of Bisbenzylisoquinolincompounds quaternary ammonium salt and preparation method thereof and the application in preparing antitumor drug 山东师范大学 2016-07-06 CN claimed
CN-105498623-A Viscoelastic solution prepared with negative ion dimeric surfactant 16-S-16 as raw material and preparation method and application of negative ion dimeric surfactant 16-S-16 UNIV NINGDE NORMAL 2016-04-20 CN claimed
CN-103910741-B Bisbenzylisoquinolincompounds trimethyl-glycine and preparation method thereof and the application in antitumor drug preparation Shangdong Normal University (CN) 2016-04-13 CN claimed
US-12416036-B2 High-throughput enzyme assay for screening activity of acyltransferases CORNELL UNIVERSITY (US) 2025-09-16 US disclosed
US-20220403443-A1 HIGH-THROUGHPUT ENZYME ASSAY FOR SCREENING ACTIVITY OF ACYLTRANSFERASES CORNELL UNIVERSITY 2022-12-22 US disclosed
EP-3000482-B1 DOUBLE-ACYLATED GLP-1 DERIVATIVES NOVO NORDISK AS (DK) 2021-04-21 EP disclosed
CN-104311657-B Double acylated GLP-1 derivatives 诺沃—诺迪斯克有限公司 2020-12-08 CN disclosed
CN-111560060-A Double acylated GLP-1 derivatives 诺沃—诺迪斯克有限公司 2020-08-21 CN disclosed
CN-104327182-B Double acylated GLP-1 derivatives 诺沃—诺迪斯克有限公司 2020-04-17 CN disclosed
US-10428302-B2 Alkaline microbial enhanced oil recovery GEO FOSSIL FUELS, LLC (US) 2019-10-01 US disclosed
EP-3211068-A1 ALKALINE MICROBIAL ENHANCED OIL RECOVERY Geo Fossil Fuels, LLC (US) 2017-08-30 EP disclosed
US-20100028939-A1 Use of Galactose Oxidase for Selective Chemical Conjugation of Protractor Molecules to Proteins of Therapeutic Interest NOVO NORDISK HEALTHCARE A/G (CH) 2010-02-04 US disclosed
US-6482850-B2 TAXANE WITH A HYDROCARBON HAVING AT THE ALPHA POSITION A GROUP SUCH AS HALOGEN AT THE 2' AND/OR 7 POSITIONS; ENHANCED IN VIVO HYDROLYSIS FOR ENHANCED TAXANE THERAPEUTIC ACTIVITY THE LIPOSOME COMPANY 2002-11-19 US disclosed
US-6392063-B1 ANTICANCER DRUG THE LIPOSOME COMPANY, INC. 2002-05-21 US disclosed
US-20020052518-A1 Hydrolysis-promoting hydrophobic taxane derivatives CEPHALON LIMITED (GB) 2002-05-02 US disclosed
US-6107332-A ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS THE LIPOSOME COMPANY, INC. (US) 2000-08-22 US disclosed
EP-0356154-B1 Trehalose derivatives SAWAI SEIYAKU KK (JP) 1997-04-09 EP disclosed
US-5049664-A Antitumor agents SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-09-17 US disclosed
EP-0356154-A2 Trehalose derivatives SAWAI PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 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 (2 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-20020052518-A1 Hydrolysis-promoting hydrophobic taxane derivatives HPN, MMP8, HPGDS ZDHHC7 1111/4885LCK 4481/4885PPARD 1134/4885
US-20100028939-A1 Use of Galactose Oxidase for Selective Chemical Conjugation of Protractor Molecules to Proteins of Therapeutic Interest GALE, GALNT2, GALNT1 ZDHHC7 927/4885LCK 3729/4885PPARD 3117/4885

“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.