SCHEMBL3973664

SCHEMBL3973664

CC(C=O)CC(=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL3328080 0.76
SCHEMBL1644130 0.76
SCHEMBL13971139 0.76
SCHEMBL2645938 0.76
SCHEMBL3330387 0.76
SCHEMBL21349166 0.75 GRIK1 (0.31)
SCHEMBL14049813 0.74
SCHEMBL6039939 0.74
SCHEMBL12111046 0.74
Potassium Ion SCHEMBL14576205 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230340012-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2023-10-26 US disclosed
US-20230159436-A1 APPLICATIONS OF AMIDE ANALOGS OF TRITERPENES IN CURES OF CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2023-05-25 US disclosed
US-20200199172-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2020-06-25 US disclosed
US-10590163-B2 Natural and synthetic compounds for treating cancer and other diseases PACIFIC ARROW LIMITED (CN) 2020-03-17 US disclosed
US-20170267714-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2017-09-21 US disclosed
US-20170022246-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2017-01-26 US disclosed
US-9499577-B2 Natural and synthetic compounds for treating cancer and other diseases PACIFIC ARROW LTD (CN) 2016-11-22 US disclosed
US-9434677-B2 Natural and synthetic compounds for treating cancer and other diseases PACIFIC ARROW LIMITED (HK) 2016-09-06 US disclosed
US-20140322810-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2014-10-30 US disclosed
US-20140199378-A1 NEW NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LIMITED (CN) 2014-07-17 US disclosed
CN-103857399-A New natural and synthetic compounds for treating cancer and other diseases PACIFIC ARROW LTD 2014-06-11 CN disclosed
WO-2013012737-A1 NEW NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LIMITED (VG) 2013-01-24 WO disclosed
US-7560550-B2 Method for the production of OH protected[4-(2.6-diamino-9H-purine-9-yl)-1.3-dioxolane-2-yl]methanol derivatives RFS PHARMA, LLC (US) 2009-07-14 US disclosed
EP-1648894-B1 METHOD FOR THE PRODUCTION OF OH PROTECTED [4-(2.6-DIAMINO-9H-PURINE-9-YL)- 1.3-DIOXOLANE-2-YL]METHANOL DERIVATIVES WACKER CHEMIE AG (DE) 2007-09-12 EP disclosed
US-20060211855-A1 Method for the production of oh protected{4-(2.6-diamino-9h-purine-9-yl)-1.3-dioxolane-2-yl] methanol derivatives WACKER CHEMIE AG (DE) 2006-09-21 US disclosed
EP-1648894-A1 METHOD FOR THE PRODUCTION OF OH PROTECTED [4-(2.6-DIAMINO-9H-PURINE-9-YL)- 1.3-DIOXOLANE-2-YL]METHANOL DERIVATIVES Wacker Chemie AG (DE) 2006-04-26 EP disclosed
WO-2005012302-A1 METHOD FOR THE PRODUCTION OF OH PROTECTED [4-(2.6-DIAMINO-9H-PURINE-9-YL)- 1.3-DIOXOLANE-2-YL]METHANOL DERIVATIVES WACKER CHEMIE AG (DE) 2005-02-10 WO disclosed
WO-2001044145-A1 METHOD FOR THE MANUFACTURE OF OLEFINS FORTUM OIL AND GAS OY (FI) 2001-06-21 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 (9 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-20170022246-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES VCAM1, EPCAM, ICAM1 ALDH1A1 2109/4885TDP1 4604/4885
US-20200199172-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES VCAM1, EPCAM, ICAM1 ALDH1A1 2097/4885TDP1 4610/4885
US-20230340012-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES TEK, VCAM1, MCL1 ALDH1A1 1090/4885TDP1 3722/4885
US-10590163-B2 Natural and synthetic compounds for treating cancer and other diseases VCAM1, EPCAM, ICAM1 ALDH1A1 2109/4885TDP1 4604/4885
US-20230159436-A1 APPLICATIONS OF AMIDE ANALOGS OF TRITERPENES IN CURES OF CANCER AND OTHER DISEASES UACA, BRDT, FLT3 ALDH1A1 1190/4885TDP1 4345/4885
US-20140322810-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES VCAM1, EPCAM, ICAM1 ALDH1A1 2109/4885TDP1 4604/4885
US-20140199378-A1 NEW NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES VCAM1, EPCAM, TEK ALDH1A1 2129/4885TDP1 4646/4885
US-20060211855-A1 Method for the production of oh protected{4-(2.6-diamino-9h-purine-9-yl)-1.3-dioxolane-2-yl] methanol derivatives FUT6, FUT5, ST6GAL1 ALDH1A1 187/4885TDP1 1083/4885
US-20170267714-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES VCAM1, EPCAM, ICAM1 ALDH1A1 2109/4885TDP1 4604/4885

“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.