SCHEMBL1714767

SCHEMBL1714767

CCCCC(N)(N)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.46
SMPD1 P17405 4/20 0.39
CES1 P23141 3/20 0.37
CES2 O00748 4/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35

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
Acetone SCHEMBL11295484 0.98 FDPS (0.45) FDPSSMPD1CES1CES2ALDH1A1
SCHEMBL27916871 0.93 FDPS (0.48) FDPSSMPD1CES2
SCHEMBL9067900 0.82 FDPS (0.48) FDPSSMPD1CES1CES2
SCHEMBL29194351 0.80 FFAR1 (0.53) FDPS
SCHEMBL28912308 0.80 FDPS (0.42) FDPSSMPD1CES2
SCHEMBL288685 0.80 FDPS (0.46) FDPSSMPD1ALDH1A1MEN1CYP1A2
SCHEMBL7259933 0.80 FDPS (0.46) FDPSSMPD1CES1CES2MEN1
SCHEMBL29194354 0.79 FFAR1 (0.51) FDPSSMPD1
SCHEMBL22617790 0.78 FDPS (0.45) FDPSSMPD1CES1CES2ALDH1A1
Hydrochloric Acid SCHEMBL28391923 0.78 FDPS (0.45) FDPSSMPD1ALDH1A1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084681-A Method for extracting pentanediamine from pentanediamine catalytic liquid 湖北三宁碳磷基新材料产业技术研究院有限公司 2024-05-28 CN disclosed
CN-109942437-B Method for separating and purifying pentamethylene diamine 南京工业大学 2021-02-12 CN disclosed
CN-103492553-B For producing the method for cadaverine and recombinant microorganism 巴斯夫欧洲公司 2018-06-12 CN disclosed
US-8906653-B2 Method for fermentatively producing 1,5-diaminopentane BASF SE (DE) 2014-12-09 US disclosed
US-8785695-B2 Method for purifying compounds containing amino groups BASF SE (DE) 2014-07-22 US disclosed
CN-101981202-B Method for producing 1, 5-diaminopentane by fermentation BASF SE 2013-09-11 CN disclosed
EP-2513039-A1 METHOD FOR PURIFYING COMPOUNDS COMPRISING AMINO GROUPS BASF SE (DE) 2012-10-24 EP disclosed
US-20120253076-A1 METHOD FOR PURIFYING COMPOUNDS CONTAINING AMINO GROUPS BASF SE (DE) 2012-10-04 US disclosed
WO-2012114256-A1 PROCESSES AND RECOMBINANT MICROORGANISMS FOR THE PRODUCTION OF CADAVERINE BASF SE (DE) 2012-08-30 WO disclosed
EP-2235194-B1 Method for fermentatively producing 1,5-diaminopentane BASF SE (DE) 2011-07-20 EP disclosed
WO-2011082976-A1 METHOD FOR PURIFYING COMPOUNDS COMPRISING AMINO GROUPS BASF SE (DE) 2011-07-14 WO disclosed
CN-101981202-A Method for producing 1, 5-diaminopentane by fermentation BASF SE 2011-02-23 CN disclosed
US-20100292429-A1 Method for Fermentatively Producing 1,5-Diaminopentane BASF SE (DE) 2010-11-18 US disclosed
EP-2235194-A2 METHOD FOR FERMENTATIVELY PRODUCING 1,5-DIAMINOPENTANE BASF SE (DE) 2010-10-06 EP disclosed
WO-2009092793-A2 METHOD FOR FERMENTATIVELY PRODUCING 1,5-DIAMINOPENTANE BASF SE (DE) 2009-07-30 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 (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-20120253076-A1 METHOD FOR PURIFYING COMPOUNDS CONTAINING AMINO GROUPS AADAT, BCAT2, BCAT1 FDPS 2657/4885SMPD1 4527/4885CES1 3442/4885

“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.