SCHEMBL2516124

SCHEMBL2516124

CC(C)(C)OC(=O)CCC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.55
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 2/20 0.50
GAA P10253 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK1 P28482 2/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46

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
SCHEMBL13448038 0.84 KMT2A (0.58) MAPTALDH1A1TDP1KMT2ALMNA
SCHEMBL768486 0.84 KMT2A (0.57) MAPTALDH1A1TDP1KMT2ALMNA
SCHEMBL12157882 0.83 PLOD2 (0.44) MAPTALDH1A1L3MBTL1KMT2ALMNA
SCHEMBL4096578 0.83 LMNA (0.59) MAPTALDH1A1L3MBTL1KMT2ALMNA
SCHEMBL17521946 0.83 ALDH1A1 (0.43) NR4A2MAPTALDH1A1TDP1L3MBTL1
SCHEMBL13304061 0.81 MMP1 (0.58) MAPTALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL4181717 0.81 MAPT (0.50) NR4A2MAPTALDH1A1TDP1L3MBTL1
SCHEMBL17884960 0.81 PLOD2 (0.50) ALDH1A1TDP1L3MBTL1KMT2ALMNA
SCHEMBL29835154 0.81 PLOD2 (0.50) ALDH1A1TDP1L3MBTL1KMT2ALMNA
SCHEMBL19283953 0.80 LOXL2 (0.47) ALDH1A1HPGDPOLBCTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244717-A2 Process for the preparation of 2,3-epoxyamides BAYER AG (DE) 1987-11-11 EP claimed
US-11718588-B2 5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS inhibitors for the treatment of osteoarthritis GALAPAGOS NV (BE) 2023-08-08 US disclosed
US-9926281-B2 5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS inhibitors for the treatment of osteoarthritis GALAPAGOS NV (BE) 2018-03-27 US disclosed
US-20180002293-A1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS GALAPAGOS NV (BE) 2018-01-04 US disclosed
US-8034961-B2 Reduction of 4-aryl-4-ketobutanoic acid derivatives utilizing ruthenium containing catalysts LANXESS DEUTSCHLAND GMBH (US) 2011-10-11 US disclosed
US-20080103316-A1 Process for stereoselectively reducing 4-ARYL-4-oxobutanoic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-05-01 US disclosed
US-7329766-B2 Process for stereoselectively reducing 4-aryl-4-oxobutanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2008-02-12 US disclosed
US-20050245760-A1 Process for stereoselectively reducing 4-aryl-4-oxobutanoic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-11-03 US disclosed
US-6921822-B2 Process for stereoselectively reducing 4-aryl-4-oxobutanoic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-07-26 US disclosed
US-20040030181-A1 Process for stereoselectively reducing 4-aryl-4-oxobutanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-02-12 US disclosed
EP-1369410-A1 Process for the stereoselective reduction of derivatives of 4-aryl-4-oxobutyric acid BAYER AG (DE) 2003-12-10 EP disclosed
US-6028224-A Fluoxetine process from benzoylpropionic acid SEPRACOR INC. (US) 2000-02-22 US disclosed
WO-1999067196-A1 FLUOXETINE PROCESS FROM BENZOYLPROPIONIC ACID SEPRACOR INC. (US) 1999-12-29 WO disclosed
US-5936124-A Fluoxetine process from benzoylpropionic acid SEPACOR INC. (US) 1999-08-10 US 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 (5 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-20080103316-A1 Process for stereoselectively reducing 4-ARYL-4-oxobutanoic acid derivatives HPD, GRHPR, CYP4B1 NR4A2 188/4885MAPT 4303/4885ALDH1A1 133/4885
US-20180002293-A1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS ADAMTS1, ADAMTS5, ADAMTS7 NR4A2 2820/4885MAPT 3433/4885ALDH1A1 441/4885
US-20040030181-A1 Process for stereoselectively reducing 4-aryl-4-oxobutanoic acid derivatives HPD, GRHPR, CYP4B1 NR4A2 188/4885MAPT 4303/4885ALDH1A1 133/4885
US-11718588-B2 5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS inhibitors for the treatment of osteoarthritis ADAMTS1, ADAMTS5, ADAMTS7 NR4A2 2820/4885MAPT 3433/4885ALDH1A1 441/4885
US-20050245760-A1 Process for stereoselectively reducing 4-aryl-4-oxobutanoic acid derivatives HPD, GRHPR, CYP4B1 NR4A2 188/4885MAPT 4303/4885ALDH1A1 133/4885

“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.