SCHEMBL59484

SCHEMBL59484

N#CC1(C#N)CCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
PDE4A P27815 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL2154881 1.00 ALDH1A1 (0.50) ALDH1A1PDE4ACYP1A2
SCHEMBL647392 1.00 ALDH1A1 (0.50) ALDH1A1PDE4ACYP1A2
SCHEMBL21464139 1.00 ALDH1A1 (0.50) ALDH1A1PDE4ACYP1A2
SCHEMBL21467312 1.00 ALDH1A1 (0.50) ALDH1A1PDE4ACYP1A2
SCHEMBL2155746 0.96
SCHEMBL2154166 0.89
Bicarbonate SCHEMBL11574946 0.86 ALDH1A1 (0.46) ALDH1A1CYP1A2
SCHEMBL819875 0.86 ALDH1A1 (0.36) ALDH1A1
Sulfurous Acid SCHEMBL11769477 0.84 ALDH1A1 (0.44) ALDH1A1
SCHEMBL2047747 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874625-A Process to hydrogenate organic nitriles to primary amines HENKEL CORPORATION (US) 1999-02-23 US claimed
WO-1998019991-A1 IMPROVED PROCESS TO HYDROGENATE ORGANIC NITRILES TO PRIMARY AMINES HENKEL CORPORATION (US) 1998-05-14 WO claimed
US-5145594-A Consisting of mono- or dinitriles, aliphatic, cyclic or tricycic E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-08 US claimed
CN-111936461-B Process for producing dicyanoalkane and bis (aminomethyl) alkane 三菱瓦斯化学株式会社 2023-09-05 CN disclosed
US-11542222-B2 Method for preparing dicyanoalkane and bis(aminomethyl) alkane MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-01-03 US disclosed
US-20210139408-A1 METHOD FOR PREPARING DICYANOALKANE AND BIS(AMINOMETHYL)ALKANE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-05-13 US disclosed
EP-3778559-A1 METHOD FOR PREPARING DICYANOALKANE AND BIS(AMINOMETHYL)ALKANE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-02-17 EP disclosed
CN-111936461-A Process for producing dicyanoalkane and bis (aminomethyl) alkane 三菱瓦斯化学株式会社 2020-11-13 CN disclosed
WO-2019198782-A1 METHOD FOR PREPARING DICYANOALKANE AND BIS(AMINOMETHYL)ALKANE 三菱瓦斯化学株式会社 2019-10-17 WO disclosed
EP-3184171-B1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2019-03-20 EP disclosed
US-10144752-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2018-12-04 US disclosed
WO-2011082192-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2011-07-07 WO disclosed
US-20100294699-A1 PROCESS FOR HYDRODESULFURIZATION, HYDRODENITROGENATION, HYDROFINISHING, OR AMINE PRODUCTION H R D CORPORATION (US) 2010-11-25 US disclosed
WO-2010090811-A1 PROCESS FOR HYDRODESULFURIZATION, HYDRODENITROGENATION, HYDROFINISHING, OR AMINE PRODUCTION H R D CORPORATION (US) 2010-08-12 WO disclosed
EP-1322420-B1 METHOD FOR REGENERATING CATALYSTS BASF SE (DE) 2008-04-09 EP disclosed
WO-2007001848-A2 HIGH REFRACTIVE INDEX FLUIDS WITH LOW ABSORPTION FOR IMMERSION LITHOGRAPHY SACHEM, INC. (US) 2007-01-04 WO disclosed
US-5874625-A Process to hydrogenate organic nitriles to primary amines HENKEL CORPORATION (US) 1999-02-23 US disclosed
WO-1998019991-A1 IMPROVED PROCESS TO HYDROGENATE ORGANIC NITRILES TO PRIMARY AMINES HENKEL CORPORATION (US) 1998-05-14 WO disclosed
US-5145594-A Consisting of mono- or dinitriles, aliphatic, cyclic or tricycic E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-08 US disclosed
US-4885391-A HYDROGENATION OF 2-METHYLGLUTARONITRILE WITH CHROMIUM PROMOTED COBALT RANEY CATALYST ACTIVATED BY WATER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-12-05 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 (3 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-20210139408-A1 METHOD FOR PREPARING DICYANOALKANE AND BIS(AMINOMETHYL)ALKANE AADAT, DDC, ALB ALDH1A1 2562/4885PDE4A 4863/4885CYP1A2 1253/4885
US-10144752-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins NIT2, NCLN, NPM1 ALDH1A1 4849/4885PDE4A 3917/4885CYP1A2 4860/4885
US-11542222-B2 Method for preparing dicyanoalkane and bis(aminomethyl) alkane AADAT, DDC, ALB ALDH1A1 2562/4885PDE4A 4863/4885CYP1A2 1253/4885

“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.