SCHEMBL2154283

SCHEMBL2154283

CCCCCCCCCCCCCCCCCCCC#N

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.77
THRB P10828 1/20 0.50
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
DNM1 Q05193 4/20 0.41
PTPN7 P35236 3/20 0.39
HMGCR P04035 1/20 0.39
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
Palmitonitrile SCHEMBL17183997 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL181303 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL11095447 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
Octane SCHEMBL6002112 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL181158 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL60342 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
Heptane SCHEMBL3240570 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL345850 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
Octane SCHEMBL20497305 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL61880 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4396306-B1 A METHOD FOR DECREASING FEED IMPURITIES NESTE OYJ (FI) 2025-07-30 EP disclosed
US-20240350942-A1 A METHOD FOR DECREASING FEED IMPURITIES NESTE OYJ (FI) 2024-10-24 US disclosed
US-20240128511-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2024-04-18 US disclosed
US-11942601-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2024-03-26 US disclosed
US-20220336858-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITUSBISHI CHEMICAL CORPORATION (JP) 2022-10-20 US disclosed
US-11424482-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2022-08-23 US disclosed
CN-110003047-B Method for preparing nitrile by reacting acetone cyanohydrin with alkyl halide 哈尔滨理工大学 2022-05-06 CN disclosed
EP-3463293-B1 INJECTABLE SOLUTION AT PH 7, COMPRISING AT LEAST ONE BASAL INSULIN WHOSE PI IS BETWEEN 5.8 AND 8.5, A PRANDIAL INSULIN AND/OR A GASTROINTESTINAL HORMONE, AND A COPOLYAMINO ACID BEARING CARBOXYLATE CHARGES AND HYDROPHOBIC RADICALS ADOCIA (FR) 2021-05-12 EP disclosed
EP-3463294-B1 COMPOSITIONS IN THE FORM OF AN INJECTABLE AQUEOUS SOLUTION, COMPRISING HUMAN GLUCAGON AND A STATISTICAL COPOLYAMINO ACID ADOCIA (FR) 2020-08-05 EP 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-20150299107-A1 SELECTIVE EXTRACTION OF AN OMEGA-FUNCTIONALIZED ACID AFTER OXIDATIVE CLEAVAGE OF AN UNSATURATED FATTY ACID AND DERIVATIVES ARKEMA FRANCE (FR) 2015-10-22 US disclosed
US-8927746-B2 Process for synthesizing omega-functionalized acids from fatty acids or fatty esters ARKEMA FRANCE (FR) 2015-01-06 US disclosed
US-20140221645-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2014-08-07 US disclosed
US-20140148607-A1 Process for Synthesizing Omega-Functionalized Acids from Fatty Acids or Fatty Esters ARKEMA FRANCE (FR) 2014-05-29 US disclosed
CN-103814007-A Process for synthesizing omega-functionalized acids from fatty acids or fatty esters ARKEMA FRANCE 2014-05-21 CN disclosed
US-8680003-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2014-03-25 US disclosed
US-20120309965-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2012-12-06 US disclosed
EP-2519532-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2012-11-07 EP 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-3936490-A FROM BUTADIENE AND ACETONITRILE WITH A BASIC ALKALI METAL CONTAINING CATALYST EXXON RESEARCH AND ENGINEERING COMPANY (US) 1976-02-03 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 (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-20120309965-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 TSHR 3542/4885THRB 4680/4885ALDH1A1 4849/4885
US-20140221645-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 TSHR 3542/4885THRB 4680/4885ALDH1A1 4849/4885
US-20140148607-A1 Process for Synthesizing Omega-Functionalized Acids from Fatty Acids or Fatty Esters FASN, FFAR2, FADS1 TSHR 1324/4885THRB 1688/4885ALDH1A1 965/4885

“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.