SCHEMBL2945405

SCHEMBL2945405

O=C(O)CCCCCCCCCCCCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
RXFP1 Q9HBX9 1/20 0.61
TSHR P16473 1/20 0.56
KCNH2 Q12809 1/20 0.51
FAAH O00519 1/20 0.51
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
HDAC4 P56524 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50

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
SCHEMBL2952790 1.00 MAPT (0.61) MAPTRXFP1TSHRKCNH2FAAH
SCHEMBL1400171 1.00 MAPT (0.61) MAPTRXFP1TSHRKCNH2FAAH
SCHEMBL2942293 1.00 MAPT (0.61) MAPTRXFP1TSHRKCNH2FAAH
SCHEMBL154515 1.00 MAPT (0.61) MAPTRXFP1TSHRKCNH2FAAH
SCHEMBL153580 1.00 MAPT (0.61) MAPTRXFP1TSHRKCNH2FAAH
SCHEMBL153108 1.00 MAPT (0.61) MAPTRXFP1TSHRKCNH2FAAH
SCHEMBL2944805 1.00 MAPT (0.61) MAPTRXFP1TSHRKCNH2FAAH
SCHEMBL1527806 0.98 MAPT (0.58) MAPTRXFP1TSHRKCNH2FAAH
SCHEMBL8669549 0.97 MAPT (0.57) MAPTRXFP1TSHRKCNH2FAAH
SCHEMBL135651 0.93 TSHR (0.59) MAPTRXFP1TSHRKCNH2HDAC3

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 27 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
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
EP-2951279-B1 METHOD AND CULTURE DEVICE FOR DETECTING YEASTS AND MOLDS 3M INNOVATIVE PROPERTIES CO (US) 2020-12-09 EP disclosed
US-10640743-B2 Method and culture device for detecting yeasts and molds 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-05-05 US disclosed
CN-106978406-B Short peptide self-assembled hydrogel with esterase activity and application thereof 遵义医学院附属医院 2020-04-21 CN disclosed
EP-3553163-A1 ARTICLE AND METHOD FOR DETECTING AEROBIC BACTERIA 3M Innovative Properties Company (US) 2019-10-16 EP disclosed
EP-3114209-B1 ARTICLE AND METHOD FOR DETECTING AEROBIC BACTERIA 3M INNOVATIVE PROPERTIES CO (US) 2019-06-12 EP 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 MAPT 4408/4885RXFP1 4693/4885TSHR 3989/4885

“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.