SCHEMBL1030003

SCHEMBL1030003

CN(C)CCCN1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HPGD P15428 1/20 0.44
DUSP3 P51452 1/20 0.44
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SIGMAR1 Q99720 3/20 0.43
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
HTR2A P28223 1/20 0.43
SCN1A P35498 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL28169793 0.94 KEAP1 (0.52) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL11334002 0.88 KEAP1 (0.41) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL1033434 0.87 KEAP1 (0.54) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL8997786 0.87 KEAP1 (0.46) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL154374 0.86 ALDH1A1 (0.46) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL28930621 0.85 TSHR (0.44) KEAP1SMN1; SMN2ALDH1A1KDM4ESIGMAR1
SCHEMBL9434876 0.84 ALOX15 (0.50) SMN1; SMN2ALDH1A1ALOX15KDM4ECHRM2
SCHEMBL27699518 0.84
SCHEMBL22997580 0.83 KEAP1 (0.50) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1
SCHEMBL8997666 0.83 KEAP1 (0.41) KEAP1SMN1; SMN2HPGDDUSP3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103222-A1 New Class of Amine Coinitiators in Photoinitiated Polymerizations ALBEMARLE CORPORATION (US) 2008-05-01 US claimed
US-20050197420-A1 Class of amine coinitiators in photoinitiated polymerizations ALBEMARLE CORPORATION 2005-09-08 US claimed
EP-0078478-B1 HIGH-FREQUENCY WELDABLE POLYURETHANE FOAMS, AND PROCESS FOR PREPARING THE SAME BAYER AG (DE) 1986-05-21 EP claimed
EP-4214256-B1 LOW FREE POLYURETHANE PREPOLYMER COMPOSITION FOR REACTIVE HOT MELT ADHESIVES LANXESS CORP (US) 2024-09-11 EP disclosed
US-20230383157-A1 LOW FREE POLYURETHANE PREPOLYMER COMPOSITION FOR REACTIVE HOT MELT ADHESIVES LANXESS CORPORATION (US) 2023-11-30 US disclosed
EP-4214256-A1 LOW FREE POLYURETHANE PREPOLYMER COMPOSITION FOR REACTIVE HOT MELT ADHESIVES LANXESS Corporation (US) 2023-07-26 EP disclosed
US-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 US disclosed
CN-116194505-A Low free polyurethane prepolymer composition for reactive hot melt adhesives 朗盛公司 2023-05-30 CN disclosed
WO-2022093817-A1 MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS, AND METHODS OF MAKING AND USING SAME YALE UNIVERSITY (US) 2022-05-05 WO disclosed
WO-2022061087-A1 LOW FREE POLYURETHANE PREPOLYMER COMPOSITION FOR REACTIVE HOT MELT ADHESIVES LANXESS CORPORATION (US) 2022-03-24 WO disclosed
EP-3267794-B1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2020-09-09 EP disclosed
EP-0054219-B1 PROCESS FOR THE PRODUCTION OF FOAMED POLYURETHANES BAYER AG (DE) 1986-02-26 EP disclosed
EP-0172379-A1 Material for orthopaedic bandages BAYER AG (DE) 1986-02-26 EP disclosed
EP-0132675-A2 Preparations of polyisocynate containing reversibly blocked catalysts, process for their production, their use in the production of polyurethanes, and addition products of sulfonylisocyanates on catalysts with a structure of carboxylates of tin II or IV BAYER AG (DE) 1985-02-13 EP disclosed
US-4430453-A USING AMMONIUM SALTS OF PHOSPHORUS CONTAINING ACIDS AS ADDITIVE BAYER AKTIENGESELLSCHAFT (DE) 1984-02-07 US disclosed
EP-0078478-A1 High-frequency weldable polyurethane foams, and process for preparing the same BAYER AG (DE) 1983-05-11 EP disclosed
US-4379861-A Process for the production of polyurethanes using morpholine compounds as catalysts BAYER AKTIENGESELLSCHAFT (DE) 1983-04-12 US disclosed
EP-0054219-A1 Process for the production of foamed polyurethanes BAYER AG (DE) 1982-06-23 EP disclosed
US-4200575-A 7[(2-Thiazolyl)-2-(oxoimino)acetamido]cephalosporin derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-04-29 US disclosed
EP-0000468-A1 Polyols containing chlorine and ester groups and based on tetrachlorophtalic acid, their preparation and use for the preparation of flame retardant polyurethane or polyisocyanate foams BASF Aktiengesellschaft (DE) 1979-02-07 EP 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 (1 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-20230203018-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS KEAP1 457/4885SMN1; SMN2 2227/4885HPGD 2493/4885

“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.