SCHEMBL2559740

SCHEMBL2559740

CCOC(=O)CCCCCCCO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.59
▸ DGKA P23743 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ ALOX15 P16050 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ GAA P10253 2/20 0.52
▸ CYP4F2 P78329 3/20 0.50
▸ CYP4A11 Q02928 3/20 0.50
▸ PAM P19021 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MGAM O43451 1/20 0.48
▸ SI P14410 1/20 0.48
▸ MGAM2 Q2M2H8 1/20 0.48
▸ USP2 O75604 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ DUSP3 P51452 1/20 0.47

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
SCHEMBL1896403 1.00 CYP1A2 (0.59) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL3503524 1.00 CYP1A2 (0.59) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL3503187 1.00 CYP1A2 (0.59) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL3503495 1.00 CYP1A2 (0.59) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL1065093 1.00 CYP1A2 (0.59) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL1265010 1.00 CYP1A2 (0.59) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL1060504 1.00 CYP1A2 (0.59) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL3288792 1.00 CYP1A2 (0.59) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL247007 1.00 CYP1A2 (0.59) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL3501621 1.00 CYP1A2 (0.59) CYP1A2DGKAALDH1A1ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116253640-A Vegetable oil polyol and preparation method and application thereof 南京工业大学 2023-06-13 — — CN claimed
CN-103232345-B Synthesis method of 8-hydroxyl ethyl caprylate JIANGSU BOTAI PHARMACEUTICAL COMPANY LTD 2015-04-08 — — CN claimed
CN-103232345-A Synthesis method of 8-hydroxyl ethyl caprylate JIANGSU BOTAI PHARMACEUTICAL CO LTD 2013-08-07 — — CN claimed
CN-118255666-A Preparation method and application of vegetable oil polyol 广东腐蚀科学与技术创新研究院 2024-06-28 — — CN disclosed
WO-2024102970-A1 COMPOUNDS FOR MODULATING SYK ACTIVITY AND E3 UBIQUITIN LIGASE ACTIVITY Kronos Bio, Inc. (US) 2024-05-16 — — WO disclosed
CN-113773182-B Method for synthesizing 6, 8-dichloro octanoate 风火轮(上海)生物科技有限公司 2024-02-06 — — CN disclosed
CN-116253640-A Vegetable oil polyol and preparation method and application thereof 南京工业大学 2023-06-13 — — CN disclosed
CN-107636158-B Biocatalytic oxidation 赢创运营有限公司 2022-02-01 — — CN disclosed
CN-113773182-A Method for synthesizing 6, 8-dichloro caprylic acid ester 风火轮(上海)生物科技有限公司 2021-12-10 — — CN disclosed
US-20210196842-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-01 — — US disclosed
EP-2560987-B1 BIOCATALYTICAL OXIDATION PROCESS WITH ALKL GENE PRODUCT EVONIK DEGUSSA GMBH (DE) 2019-02-20 — — EP disclosed
CN-103232345-A Synthesis method of 8-hydroxyl ethyl caprylate JIANGSU BOTAI PHARMACEUTICAL CO LTD 2013-08-07 — — CN disclosed
EP-2560987-A1 BIOCATALYTIC OXIDATION PROCESS WITH ALKL GENE PRODUCT Evonik Degussa GmbH (DE) 2013-02-27 — — EP disclosed
WO-2011131420-A1 BIOCATALYTIC OXIDATION PROCESS WITH ALKL GENE PRODUCT EVONIK DEGUSSA GMBH (DE) 2011-10-27 — — WO disclosed
US-20100210745-A1 Molecular Healing of Polymeric Materials, Coatings, Plastics, Elastomers, Composites, Laminates, Adhesives, and Sealants by Active Enzymes REACTIVE SURFACES, LTD. (US) 2010-08-19 — — US disclosed
US-20020099065-A1 Novel 3, 5, and/or 6 substituted analogues of swainsonine, processes for their preparation and their use as therapeutic agents GLYCODESIGN INC. (CA) 2002-07-25 — — US disclosed
EP-0711144-A1 COSMETIC COMPOSITION CONTAINING ALPHA HYDROXY ACIDS UNILEVER PLC (GB) 1996-05-15 — — EP disclosed
EP-0684040-A2 Skin treatment composition UNILEVER PLC (GB) 1995-11-29 — — EP disclosed
US-5451405-A Cosmetics CHESEBROUGH-POND'S USA CO. (US) 1995-09-19 — — US disclosed
WO-1995003032-A1 COSMETIC COMPOSITION CONTAINING ALPHA HYDROXY ACIDS UNILEVER PLC (GB) 1995-02-02 — — 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 (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-20210196842-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE DLAT, FABP7, ACSL1 CYP1A2 3526/4885DGKA 2699/4885ALDH1A1 1130/4885
US-20020099065-A1 Novel 3, 5, and/or 6 substituted analogues of swainsonine, processes for their preparation and their use as therapeutic agents WDR5, WDR3, WDR77 CYP1A2 3136/4885DGKA 2809/4885ALDH1A1 4125/4885

“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.

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