SCHEMBL4846040

SCHEMBL4846040

N#CCCC(O)(CCC#N)CCCO

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL17669189 0.79 SMN1; SMN2 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL13423985 0.78 ALDH1A1 (0.33) ALDH1A1TDP1MEN1KMT2A
SCHEMBL4854212 0.77 ALDH1A1 (0.37) ALDH1A1TDP1MEN1KMT2A
SCHEMBL4847136 0.74 TSHR (0.35) ALDH1A1MEN1KMT2A
SCHEMBL125005 0.73 SMN1; SMN2 (0.35) ALDH1A1MEN1KMT2A
Methyl Alcohol SCHEMBL3866911 0.73 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL366052 0.73
SCHEMBL15653149 0.71
SCHEMBL1580084 0.71 TSHR (0.43) ALDH1A1TDP1MEN1KMT2A
SCHEMBL2541506 0.71 TSHR (0.43) ALDH1A1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399886-B2 Aminopropylation of alcohols in the presence of amide or ether solvents AIR PRODUCTS AND CHEMICALS, INC. 2008-07-15 US claimed
EP-1512675-A1 Aminopropylation of alcohols in the presence of amide or ether solvents AIR PRODUCTS AND CHEMICALS, INC. (US) 2005-03-09 EP claimed
EP-1215196-B1 Selective reductive amination of nitriles AIR PROD & CHEM (US) 2004-05-12 EP claimed
EP-0913388-B1 Hydrogenation of nitriles to produce amines AIR PROD & CHEM (US) 2003-10-01 EP claimed
EP-1215196-A1 Selective reductive amination of nitriles AIR PRODUCTS AND CHEMICALS, INC. (US) 2002-06-19 EP claimed
US-6248925-B1 REACTING A NITRILE WITH A PRIMARY OR SECONDARY AMINE EFFECTING CONVERSION OF THE NITRILE GROUP TO THE CORRESPONDING SECONDARY OR TERTIARY AMINE; PROMOTIONALLY EFFECTIVE AMOUNT OF A LITHIUM COMPOUND OR SODIUM CHLORIDE. AIR PRODUCTS AND CHEMICALS, INC. 2001-06-19 US claimed
EP-0913388-A1 Hydrogenation of nitriles to produce amines AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-05-06 EP claimed
US-5869653-A USING SPONGE OR RANEY COBALT CATALYST; AMMONIA-FREE REACTION AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-02-09 US claimed
US-7399886-B2 Aminopropylation of alcohols in the presence of amide or ether solvents AIR PRODUCTS AND CHEMICALS, INC. 2008-07-15 US disclosed
US-20060047171-A1 Catalytic hydrogenation of nitriles to produce capsaicinoid derivatives and amine compounds, and methods for purifying and obtaining the polymorphs thereof STIEFEL LABORATORIES, INC. 2006-03-02 US disclosed
US-20050054872-A1 Aminopropylation of alcohols in the presence of amide or ether solvents AIR PRODUCTS AND CHEMICALS, INC. 2005-03-10 US disclosed
EP-1512675-A1 Aminopropylation of alcohols in the presence of amide or ether solvents AIR PRODUCTS AND CHEMICALS, INC. (US) 2005-03-09 EP disclosed
EP-1215196-B1 Selective reductive amination of nitriles AIR PROD & CHEM (US) 2004-05-12 EP disclosed
EP-0913388-B1 Hydrogenation of nitriles to produce amines AIR PROD & CHEM (US) 2003-10-01 EP disclosed
EP-1215196-A1 Selective reductive amination of nitriles AIR PRODUCTS AND CHEMICALS, INC. (US) 2002-06-19 EP disclosed
US-6399830-B1 USING CATALYST AIR PRODUCTS AND CHEMICALS, INC. 2002-06-04 US disclosed
US-6248925-B1 REACTING A NITRILE WITH A PRIMARY OR SECONDARY AMINE EFFECTING CONVERSION OF THE NITRILE GROUP TO THE CORRESPONDING SECONDARY OR TERTIARY AMINE; PROMOTIONALLY EFFECTIVE AMOUNT OF A LITHIUM COMPOUND OR SODIUM CHLORIDE. AIR PRODUCTS AND CHEMICALS, INC. 2001-06-19 US disclosed
EP-1094058-A1 Selective reductive amination of nitriles AIR PRODUCTS AND CHEMICALS, INC. (US) 2001-04-25 EP disclosed
EP-0913388-A1 Hydrogenation of nitriles to produce amines AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-05-06 EP disclosed
US-5869653-A USING SPONGE OR RANEY COBALT CATALYST; AMMONIA-FREE REACTION AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-02-09 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-20060047171-A1 Catalytic hydrogenation of nitriles to produce capsaicinoid derivatives and amine compounds, and methods for purifying and obtaining the polymorphs thereof HPD, HNMT, PRPH ALDH1A1 1137/4885TDP1 1745/4885MEN1 3297/4885

“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.