SCHEMBL59485

SCHEMBL59485

N#CC1CCCCCCC1C#N

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.32
EPHX1 P07099 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL11572868 1.00 GRM4 (0.32) GRM4EPHX1HIF1AALDH1A1HSD17B10
SCHEMBL819984 1.00 GRM4 (0.32) GRM4EPHX1HIF1AALDH1A1HSD17B10
SCHEMBL20489359 1.00 GRM4 (0.32) GRM4EPHX1HIF1AALDH1A1HSD17B10
SCHEMBL11572873 1.00 GRM4 (0.32) GRM4EPHX1HIF1AALDH1A1HSD17B10
SCHEMBL11572951 1.00 GRM4 (0.32) GRM4EPHX1HIF1AALDH1A1HSD17B10
SCHEMBL13557475 0.96 GRM4 (0.33) GRM4ALDH1A1
SCHEMBL11568758 0.96 GRM4 (0.33) GRM4ALDH1A1
SCHEMBL91320 0.96 GRM4 (0.33) GRM4ALDH1A1
SCHEMBL29652344 0.96 GRM4 (0.33) GRM4ALDH1A1
SCHEMBL819809 0.89

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382241-B1 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORP (JP) 2016-11-23 EP claimed
US-8785566-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2014-07-22 US claimed
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
US-4146552-A Dehydrogenation of cis-1,2-dicyanocycloalkane PHILLIPS PETROLEUM COMPANY (US) 1979-03-27 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
US-10081688-B2 Polymers functionalized with polycyano compounds BRIDGESTONE CORPORATION (JP) 2018-09-25 US disclosed
WO-2010085631-A2 POLYMERS FUNCTIONALIZED WITH POLYCYANO COMPOUNDS BRIDGESTONE CORPORATION (JP) 2010-07-29 WO 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
US-4146552-A Dehydrogenation of cis-1,2-dicyanocycloalkane PHILLIPS PETROLEUM COMPANY (US) 1979-03-27 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 (2 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 GRM4 3662/4885EPHX1 4825/4885HIF1A 2323/4885
US-11542222-B2 Method for preparing dicyanoalkane and bis(aminomethyl) alkane AADAT, DDC, ALB GRM4 3662/4885EPHX1 4825/4885HIF1A 2323/4885

“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.