SCHEMBL59407

SCHEMBL59407

C=C(CCC#N)CCC#N

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 2/20 0.35
LOX P28300 1/20 0.35
LOXL3 P58215 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 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
Ethylene Glycol SCHEMBL4854205 0.91 ALDH1A1 (0.37) ALDH1A1TDP1TSHRLOXLOXL3
SCHEMBL11292505 0.89 TSHR (0.38) ALDH1A1TDP1TSHR
SCHEMBL11526163 0.89 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL60363 0.85
SCHEMBL60459 0.81 TSHR (0.41) ALDH1A1TDP1TSHRLOXLOXL3
SCHEMBL27661739 0.81
SCHEMBL8827997 0.81 TSHR (0.48) ALDH1A1TDP1TSHR
SCHEMBL60457 0.79 TSHR (0.39) ALDH1A1TDP1TSHRLOXLOXL3
SCHEMBL21348258 0.78 TSHR (0.45) ALDH1A1TSHRCYP3A4
SCHEMBL4834073 0.78

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 47 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-4302604-A BY STARTING AT A REDUCED PRESSURE AND INCREASING PRESSURE DURING HYDROGENATION PHILLIPS PETROLEUM COMPANY (US) 1981-11-24 US claimed
US-4152291-A FOR HYDROGENATION OF BRANCHED, OLEFINICALLY UNSATURATED, ALIPHATIC DINITRILE PHILLIPS PETROLEUM COMPANY (US) 1979-05-01 US claimed
EP-2966135-B1 ANTICORROSIVE COATING COMPOSITION, ANTICORROSIVE COATING FILM, AND METHOD FOR PREVENTING CORROSION OF BASE MATERIAL CHUGOKU MARINE PAINTS (JP) 2024-02-21 EP disclosed
US-20230212444-A1 ADHESIVE AGENT, LAMINATE, METHOD FOR MANUFACTURING LAMINATE, AND PACKAGING MATERIAL DIC CORPORATION (JP) 2023-07-06 US disclosed
EP-4169997-A1 ADHESIVE AGENT, LAMINATE, METHOD FOR MANUFACTURING LAMINATE, AND PACKAGING MATERIAL DIC Corporation (JP) 2023-04-26 EP disclosed
WO-2022252055-A1 ELECTROCHEMICAL DEVICE AND ELECTRONIC DEVICE 宁德新能源科技有限公司 2022-12-08 WO disclosed
EP-3392239-B1 DIALKYL SULFIDE, METHOD FOR PRODUCING DIALKYL SULFIDE, EXTREME-PRESSURE ADDITIVE, AND LUBRICATING FLUID COMPOSITION DAINIPPON INK & CHEMICALS (JP) 2021-04-28 EP disclosed
US-10894767-B2 Dialkyl sulfide, method for producing dialkyl sulfide, extreme-pressure additive, and lubricating fluid composition DIC CORPORATION (JP) 2021-01-19 US disclosed
US-20200247746-A1 DIALKYL SULFIDE, METHOD FOR PRODUCING DIALKYL SULFIDE, EXTREME-PRESSURE ADDITIVE, AND LUBRICATING FLUID COMPOSITION DIC CORPORATION (JP) 2020-08-06 US disclosed
EP-3392239-A1 DIALKYL SULFIDE, METHOD FOR PRODUCING DIALKYL SULFIDE, EXTREME-PRESSURE ADDITIVE, AND LUBRICATING FLUID COMPOSITION DIC Corporation (JP) 2018-10-24 EP disclosed
US-4162223-A RUST INHIBITOR PHILLIPS PETROLEUM COMPANY (US) 1979-07-24 US disclosed
US-4152291-A FOR HYDROGENATION OF BRANCHED, OLEFINICALLY UNSATURATED, ALIPHATIC DINITRILE PHILLIPS PETROLEUM COMPANY (US) 1979-05-01 US disclosed
US-4146560-A HYDROGENATION; COPPER-COBALT-CHROMIUM CATALYST TEXACO DEVELOPMENT CORP. (US) 1979-03-27 US disclosed
US-4143000-A POLYALKYLENE-POLYAMINE MIXTURE PHILLIPS PETROLEUM COMPANY (US) 1979-03-06 US disclosed
US-4130484-A Purification process PHILLIPS PETROLEUM COMPANY (US) 1978-12-19 US disclosed
US-4053515-A RUTHENIUM, NICKEL, COBALT, PALLADIUM, OR RHODIUM CATALYST PHILLIPS PETROLEUM COMPANY (US) 1977-10-11 US disclosed
US-4003933-A Hydrogenation of nitriles in absence of secondary reaction suppressant PHILLIPS PETROLEUM COMPANY (US) 1977-01-18 US disclosed
US-3962337-A Hydrogenation of unsaturated dinitriles for employing palladium and ruthenium catalyst in aqueous tertiary alkanol PHILLIPS PETROLEUM COMPANY (US) 1976-06-08 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-20200247746-A1 DIALKYL SULFIDE, METHOD FOR PRODUCING DIALKYL SULFIDE, EXTREME-PRESSURE ADDITIVE, AND LUBRICATING FLUID COMPOSITION MUC1, STK39, EGFR ALDH1A1 1251/4885TDP1 3270/4885TSHR 4151/4885
US-10894767-B2 Dialkyl sulfide, method for producing dialkyl sulfide, extreme-pressure additive, and lubricating fluid composition MUC1, STK39, EGFR ALDH1A1 1251/4885TDP1 3270/4885TSHR 4151/4885

“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.