SCHEMBL60021

SCHEMBL60021

N#CC1CCCCCCC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
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
SCHEMBL10456930 1.00 EPHX1 (0.32) EPHX1HIF1AALDH1A1KDM4EHSD17B10
SCHEMBL11920241 1.00 EPHX1 (0.32) EPHX1HIF1AALDH1A1KDM4EHSD17B10
SCHEMBL12393331 1.00 EPHX1 (0.32) EPHX1HIF1AALDH1A1KDM4EHSD17B10
SCHEMBL59959 1.00
SCHEMBL14027929 1.00 EPHX1 (0.32) EPHX1HIF1AALDH1A1KDM4EHSD17B10
SCHEMBL10456932 1.00 EPHX1 (0.32) EPHX1HIF1AALDH1A1KDM4EHSD17B10
SCHEMBL7082443 1.00 EPHX1 (0.32) EPHX1HIF1AALDH1A1KDM4EHSD17B10
SCHEMBL4624851 1.00 EPHX1 (0.32) EPHX1HIF1AALDH1A1KDM4EHSD17B10
SCHEMBL12635200 1.00 EPHX1 (0.32) EPHX1HIF1AALDH1A1KDM4EHSD17B10
SCHEMBL30570889 1.00 EPHX1 (0.32) EPHX1HIF1AALDH1A1KDM4EHSD17B10

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 65 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-4650516-A PLANT SAFENING AGENTS STAUFFER CHEMICAL CO. (US) 1987-03-17 US claimed
US-4288384-A N-Cyanoalkyl haloacetamides herbicidal antidotes STAUFFER CHEMICAL COMPANY (US) 1981-09-08 US claimed
US-20240336711-A1 REAGENTS AND METHODS FOR ALIPHATIC CARBON-HYDROGEN BOND FUNCTIONALIZATION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2024-10-10 US disclosed
WO-2022241129-A1 REAGENTS AND METHODS FOR ALIPHATIC CARBON—HYDROGEN BOND FUNCTIONALIZATION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2022-11-17 WO disclosed
US-10597356-B2 Process for the catalytic reversible alkene-nitrile interconversion STUDIENGESELLSCHAFT KOHLE MBH (DE) 2020-03-24 US 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-20190031602-A1 PROCESS FOR THE CATALYTIC REVERSIBLE ALKENE-NITRILE INTERCONVERSION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2019-01-31 US 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
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP 2017-10-26 US disclosed
US-9764038-B2 Enzymatic conjugation of antibodies INNATE PHARMA (FR) 2017-09-19 US disclosed
US-4955901-A HYDROPHILIC SURFACE TREATMENT CANON KABUSHIKI KAISHA (JP) 1990-09-11 US disclosed
US-4948910-A HEATING, PRESSURIZATION AND CONTACTING WITH OXYGEN TO FORM AN UNSATURATED ALIPHATIC NITRILE DOW CHEMICAL COMPANY, THE 1990-08-14 US disclosed
US-4739120-A RHODIUM CATALYST, BASIC SOLUTION OR IMMISCIBLE ORGANIC SOLVENT AND WATER THE DOW CHEMICAL COMPANY (US) 1988-04-19 US disclosed
US-4571435-A SUSTAINED RELEASE TENNESSEE VALLEY AUTHORITY (US) 1986-02-18 US disclosed
US-4485225-A USING RADICAL INITIATOR; GELATION INHIBITION KURARAY CO., LTD. (JP) 1984-11-27 US disclosed
US-4379939-A Preparation of nitrogen fertilizers from oxalate esters prepared by the oxidative carbonylation of alcohols over noble metal catalysts utilizing regenerable 2,5-cyclohexadiene-1,4-dione oxidants TENNESSEE VALLEY AUTHORITY (US) 1983-04-12 US disclosed
US-4318900-A STIMULANTS WILKINSON SWORD LIMITED (GB) 1982-03-09 US disclosed
US-4248859-A USED IN EDIBLE AND TOPICAL PREPARATIONS WILKINSON SWORD LIMITED (GB) 1981-02-03 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 (5 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-20240336711-A1 REAGENTS AND METHODS FOR ALIPHATIC CARBON-HYDROGEN BOND FUNCTIONALIZATION NCF1, SHROOM3, NPM1 EPHX1 3829/4885HIF1A 1356/4885ALDH1A1 2010/4885
US-20190031602-A1 PROCESS FOR THE CATALYTIC REVERSIBLE ALKENE-NITRILE INTERCONVERSION HCN2, HCN1, HCN4 EPHX1 1075/4885HIF1A 633/4885ALDH1A1 939/4885
US-10144752-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins NIT2, NCLN, NPM1 EPHX1 4474/4885HIF1A 4859/4885ALDH1A1 4849/4885
US-10597356-B2 Process for the catalytic reversible alkene-nitrile interconversion HCN2, HCN1, HCN4 EPHX1 1075/4885HIF1A 633/4885ALDH1A1 939/4885
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 EPHX1 4474/4885HIF1A 4859/4885ALDH1A1 4849/4885

“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.