SCHEMBL2945402

SCHEMBL2945402

CCCCCCCCCCCCC(C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MGLL Q99685 2/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
ASAH2 Q9NR71 1/20 0.46
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KCNH2 Q12809 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 2/20 0.42
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
GRM4 Q14833 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL2944802 1.00 ALDH1A1 (0.47) ALDH1A1MGLLAKR1C3AKR1C2ASAH2
SCHEMBL2952788 1.00 ALDH1A1 (0.47) ALDH1A1MGLLAKR1C3AKR1C2ASAH2
SCHEMBL153579 1.00 ALDH1A1 (0.47) ALDH1A1MGLLAKR1C3AKR1C2ASAH2
SCHEMBL154514 1.00 ALDH1A1 (0.47) ALDH1A1MGLLAKR1C3AKR1C2ASAH2
SCHEMBL153107 1.00 ALDH1A1 (0.47) ALDH1A1MGLLAKR1C3AKR1C2ASAH2
SCHEMBL2942292 1.00 ALDH1A1 (0.47) ALDH1A1MGLLAKR1C3AKR1C2ASAH2
SCHEMBL6147749 0.99 AKR1C3 (0.47) ALDH1A1MGLLAKR1C3AKR1C2ASAH2
Isopropyl Alcohol SCHEMBL28378911 0.96 ASAH2 (0.46) ALDH1A1MGLLAKR1C3AKR1C2ASAH2
SCHEMBL1400169 0.94 AKR1C3 (0.48) ALDH1A1MGLLAKR1C3AKR1C2MAPT
SCHEMBL8669550 0.94 ALDH1A1 (0.45) ALDH1A1MGLLAKR1C3AKR1C2ASAH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118165954-B Lipase, coding gene, and preparation method and application thereof 贵州大学 2024-12-10 CN disclosed
CN-118272342-A Lipase LUCA based on ancestral sequence reconstruction and application thereof 山东师范大学 2024-07-02 CN disclosed
CN-118165954-A Lipase, coding gene, and preparation method and application thereof 贵州大学 2024-06-11 CN disclosed
CN-111139229-B Novel GDSL family lipid hydrolase EII-2 and encoding gene and application thereof 自然资源部第二海洋研究所 2023-05-16 CN disclosed
CN-111057691-B Novel GDSL family lipid hydrolase EII-3 and encoding gene and application thereof 自然资源部第二海洋研究所 2023-04-28 CN disclosed
CN-111019921-B High-tolerance lipid hydrolase E93 and encoding gene and application thereof 自然资源部第二海洋研究所 2023-04-28 CN disclosed
CN-108251401-B Lipase and application thereof 丰益(上海)生物技术研发中心有限公司 2022-11-04 CN disclosed
US-11414641-B2 Article and method for detecting aerobic bacteria 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-08-16 US disclosed
CN-113684195-A Sterol esterase and coding gene and mutant thereof 中国海洋大学 2021-11-23 CN disclosed
CN-113613720-A Compositions for improving endothelial function by enhancing flow-mediated dilation 雀巢产品有限公司 2021-11-05 CN disclosed
EP-2089523-B1 ENZYME FOR THE PRODUCTION OF LONG CHAIN PERACID DANISCO US INC (US) 2013-09-25 EP disclosed
US-8476052-B2 Enzyme for the production of long chain peracid DANISCO US INC. (US) 2013-07-02 US disclosed
US-20100330647-A1 Enzyme for the Production of Long Chain Peracid AMIN NEELAM S 2010-12-30 US disclosed
US-7754460-B2 perhydrolase enzyme for cleaning, bleaching and disinfecting; perhydrolyzes long chain acyl ester substrates of at least six carbon atoms DANISCO US INC. (US) 2010-07-13 US disclosed
EP-2089523-A1 ENZYME FOR THE PRODUCTION OF LONG CHAIN PERACID Danisco US, INC., Genencor Division (US) 2009-08-19 EP disclosed
EP-0870054-B1 METHOD AND COMPOSITION FOR DETECTING BACTERIAL CONTAMINATION IN FOOD PRODUCTS BIOCONTROL SYSTEMS INC (US) 2008-07-30 EP disclosed
WO-2008063400-A1 ENZYME FOR THE PRODUCTION OF LONG CHAIN PERACID DANISCO US, INC., GENENCOR DIVISION (US) 2008-05-29 WO disclosed
US-20070167344-A1 Enzyme for the production of long chain peracid GENENCOR DIVISION DANISCO US, INC. 2007-07-19 US disclosed
US-6472167-B1 MEASURE VIABLE BACTERIA AS A FUNCTION OF THE ACTIVITIES OF BACTERIAL ENZYMES, PHOSPHATASES, GLUCOSIDASES, AND AMINOPEPTIDASES; PRESENCE DETECTED BY A FLUORESCENT SIGNAL BIOCONTROL SYSTEMS, INC. 2002-10-29 US disclosed
US-6387650-B1 INNOCULATING AND INCUBATING TEST SAMPLE ON GROWTH MEDIUM HAVING ENZYME SUBSTRATES FOR PHOSPHATASE, GLYCOSIDASE, AND PEPTIDASE, THEN DETECTING OR MEASURING SIGNAL PRODUCED BY THE HYDROLYSIS OF THE SUBSTRATES BIOCONTROL SYSTEMS, INC. 2002-05-14 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 (1 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-20100330647-A1 Enzyme for the Production of Long Chain Peracid UCHL5, UCHL1, UCHL3 ALDH1A1 173/4885MGLL 127/4885AKR1C3 536/4885

“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.