SCHEMBL6448085

SCHEMBL6448085

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
PGD P52209 1/20 0.36
CYP2C19 P33261 1/20 0.33
TRPA1 O75762 1/20 0.32

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
SCHEMBL6448088 1.00 ALDH1A1 (0.46) ALDH1A1TDP1TSHRPGDCYP2C19
SCHEMBL6805671 0.83 PGD (0.50) TDP1TSHRPGDCYP2C19
SCHEMBL667280 0.83 PGD (0.50) TDP1TSHRPGDCYP2C19
SCHEMBL6803525 0.83 PGD (0.50) TDP1TSHRPGDCYP2C19
SCHEMBL5783087 0.81 ALDH1A1 (0.43) ALDH1A1TDP1TSHRPGDCYP2C19
SCHEMBL15905917 0.80 ALDH1A1 (0.48) ALDH1A1TDP1TRPA1
SCHEMBL3224348 0.76 CYP2C19 (0.58) ALDH1A1TDP1PGDCYP2C19TRPA1
SCHEMBL12081424 0.76 TSHR (0.43) TSHRPGDCYP2C19
SCHEMBL2467277 0.76 TSHR (0.43) ALDH1A1TDP1TSHRPGDCYP2C19
SCHEMBL11210487 0.76 ALDH1A1 (0.43) ALDH1A1TDP1PGDCYP2C19TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106674330-B Preparation method of 34-Dimethyl apratoxin A/E 复旦大学 2021-07-02 CN claimed
US-11718645-B2 Macrocyclic therapeutic agents, methods of manufacture, and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-08-08 US disclosed
US-11718645-B2 Macrocyclic therapeutic agents, methods of manufacture, and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-08-08 US disclosed
CN-106674330-B Preparation method of 34-Dimethyl apratoxin A/E 复旦大学 2021-07-02 CN disclosed
EP-3107919-B1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT UNIV FLORIDA (US) 2021-01-27 EP disclosed
US-20200317732-A1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2020-10-08 US disclosed
WO-2019157293-A1 APRATOXIN ANALOGS OHIO STATE INNOVATION FOUNDATION (US) 2019-08-15 WO disclosed
US-20190241611-A1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-08-08 US disclosed
US-20170057996-A1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-03-02 US disclosed
US-20170057996-A1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-03-02 US disclosed
EP-3107919-A1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT University of Florida Research Foundation (US) 2016-12-28 EP disclosed
WO-2015127161-A1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2015-08-27 WO disclosed
WO-2015127161-A1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2015-08-27 WO disclosed
EP-1412323-B1 PROTECTED 3,5-DIHYDROXY-2,2-DIMETHYL-VALERONITRILES FOR THE SYNTHESIS OF EPOTHILONES AND DERIVATIVES AND METHOD FOR THE PRODUCTION AND USE THEREOF BAYER SCHERING PHARMA AG (DE) 2009-09-30 EP disclosed
US-6919456-B2 Catalytic compositions and methods for asymmetric aldol reactions THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2005-07-19 US disclosed
EP-1409122-A2 CATALYTIC COMPOSITIONS AND METHODS FOR ASYMMETRIC ALDOL REACTIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2004-04-21 EP disclosed
US-20040019239-A1 Catalytic compositions and methods for asymmetric aldol reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
US-6610889-B2 Using organometallic complex catalyst THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2003-08-26 US disclosed
US-20020147367-A1 Catalytic compositions and methods for asymmetric aldol reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-10-10 US disclosed
WO-2002041984-A2 CATALYTIC COMPOSITIONS AND METHODS FOR ASYMMETRIC ALDOL REACTIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2002-05-30 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 (6 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-11718645-B2 Macrocyclic therapeutic agents, methods of manufacture, and methods of treatment NFATC1, MCL1, ICOS ALDH1A1 2615/4885TDP1 3096/4885TSHR 540/4885
US-20200317732-A1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT NFATC1, MCL1, ICOS ALDH1A1 2615/4885TDP1 3096/4885TSHR 540/4885
US-20170057996-A1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT NFATC1, MCL1, ICOS ALDH1A1 2615/4885TDP1 3096/4885TSHR 540/4885
US-20020147367-A1 Catalytic compositions and methods for asymmetric aldol reactions ADH1C, ADH5, ADH1A ALDH1A1 26/4885TDP1 2601/4885TSHR 4511/4885
US-20190241611-A1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT NFATC1, MCL1, ICOS ALDH1A1 2615/4885TDP1 3096/4885TSHR 540/4885
US-20040019239-A1 Catalytic compositions and methods for asymmetric aldol reactions ADH1C, ADH5, ADH1A ALDH1A1 26/4885TDP1 2601/4885TSHR 4511/4885

“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.