SCHEMBL941695

SCHEMBL941695

CCOC(=O)CCCn1ccnc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 0.56
ALDH1A1 P00352 2/20 0.55
ABL1 P00519 1/20 0.55
RIN1 Q13671 1/20 0.55
EGLN3 Q9H6Z9 1/20 0.51

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
SCHEMBL14499226 0.95 TBXAS1 (0.60) TBXAS1ALDH1A1ABL1RIN1EGLN3
SCHEMBL9716291 0.94 TBXAS1 (0.63) TBXAS1ALDH1A1ABL1RIN1
SCHEMBL11572618 0.94 TBXAS1 (0.63) TBXAS1ALDH1A1ABL1RIN1
SCHEMBL47374 0.90 TBXAS1 (0.59) TBXAS1ALDH1A1ABL1RIN1EGLN3
SCHEMBL7818459 0.88 TBXAS1 (0.52) TBXAS1ALDH1A1ABL1RIN1EGLN3
SCHEMBL6136437 0.86 ALDH1A1 (0.51) TBXAS1ALDH1A1ABL1RIN1
SCHEMBL7824835 0.84 TBXAS1 (0.55) TBXAS1ALDH1A1ABL1RIN1
SCHEMBL26528214 0.84 TBXAS1 (0.57) TBXAS1ALDH1A1EGLN3
SCHEMBL9786222 0.84 TBXAS1 (0.69) TBXAS1ALDH1A1
SCHEMBL9459688 0.82 TBXAS1 (0.62) TBXAS1ALDH1A1ABL1RIN1EGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113979946-B Carboxyl imidazole proton ionic liquid and preparation method and application thereof 中国科学院兰州化学物理研究所 2023-05-09 CN disclosed
CN-113979946-A Carboxyl imidazole proton type ionic liquid and preparation method and application thereof 中国科学院兰州化学物理研究所 2022-01-28 CN disclosed
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
US-7754750-B2 a -5 substituted 1-H,3-H-imidazolidine-2,4-dione such as 5-(2-{[4-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-piperazinyl]sulfonyl}ethyl)-2,4-imidazolidinedione; protease inhibitors, especially metalloelastase (MMP12) ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-20100113460-A1 Organic Compounds GIVAUDAN SA (CH) 2010-05-06 US disclosed
US-20100113460-A1 Organic Compounds GIVAUDAN SA (CH) 2010-05-06 US disclosed
US-20100113460-A1 Organic Compounds GIVAUDAN SA (CH) 2010-05-06 US disclosed
EP-2139354-A2 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-01-06 EP disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-20080306065-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-12-11 US disclosed
EP-1676846-A2 Hydantoin derivatives as MMP inhibitors AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
US-20040127528-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-01 US disclosed
EP-0354539-B1 Antiinflammatory carbinoloimidazoles DU PONT MERCK PHARMA (US) 1995-04-05 EP disclosed
US-5103007-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-07 US disclosed
US-5081245-A Selective antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-14 US disclosed
EP-0378763-A1 Lipids, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-07-25 EP disclosed
EP-0356765-A2 Carboxylic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-03-07 EP disclosed
EP-0354539-A2 Antiinflammatory carbinoloimidazoles THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1990-02-14 EP disclosed
US-4859693-A Antiinflammatory carbinoloimidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-22 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-20110003853-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 TBXAS1 522/4885ALDH1A1 612/4885ABL1 1840/4885
US-20100113460-A1 Organic Compounds CYP2B6, CYP2A6, CYP2A13 TBXAS1 406/4885ALDH1A1 78/4885ABL1 1740/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 TBXAS1 522/4885ALDH1A1 612/4885ABL1 1840/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 TBXAS1 737/4885ALDH1A1 573/4885ABL1 3392/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 TBXAS1 1327/4885ALDH1A1 1250/4885ABL1 3440/4885

“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.