SCHEMBL17238751

SCHEMBL17238751

CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.C[O-]

nearest known ligand 0.87

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.87
ALDH1A1 P00352 1/20 0.81
TP53 P04637 1/20 0.81
CYP3A4 P08684 1/20 0.81
ALOX15 P16050 1/20 0.81
TSHR P16473 1/20 0.81
ALOX12 P18054 1/20 0.81
SMN1; SMN2 Q16637 1/20 0.81
HIF1A Q16665 1/20 0.81
HSD17B10 Q99714 1/20 0.81
SLC22A2 O15244 1/20 0.80
DNM1 Q05193 6/20 0.72
LSS P48449 1/20 0.60
HTT P42858 1/20 0.58

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
SCHEMBL17238748 1.00 SLC22A1 (0.87) SLC22A1ALDH1A1TP53CYP3A4ALOX15
Tetrahexylammonium SCHEMBL11424947 1.00 SLC22A1 (0.87) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL17238753 1.00 SLC22A1 (0.87) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL11416444 1.00 SLC22A1 (0.87) SLC22A1ALDH1A1TP53CYP3A4ALOX15
Tetrapentylammonium SCHEMBL11428806 0.97 SLC22A1 (0.86) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5304777 0.93 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5296604 0.93 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5284365 0.93 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL22806629 0.93 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL5302268 0.93 SLC22A1 (1.00) SLC22A1ALDH1A1TP53CYP3A4ALOX15

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3330311-B1 STORAGE STABLE 1K-POLYURETHANE-PREPREGS AND MOULDED ARTICLE MADE FROM SAME ON THE BASIS OF A POLYURETHANE COMPOSITION EVONIK OPERATIONS GMBH (DE) 2021-05-05 EP claimed
US-10626236-B2 Storage-stable one-component polyurethane prepregs and shaped bodies composed of polyurethane composition that have been produced therefrom EVONIK OPERATIONS GMBH (DE) 2020-04-21 US claimed
US-20180155515-A1 STORAGE-STABLE ONE-COMPONENT POLYURETHANE PREPREGS AND SHAPED BODIES COMPOSED OF POLYURETHANE COMPOSITION THAT HAVE BEEN PRODUCED THEREFROM EVONIK OPERATIONS GMBH (DE) 2018-06-07 US claimed
US-10793664-B2 Process for preparing trimers and/or oligomers of diisocyanates EVONIK OPERATIONS GMBH (DE) 2020-10-06 US disclosed
US-10626236-B2 Storage-stable one-component polyurethane prepregs and shaped bodies composed of polyurethane composition that have been produced therefrom EVONIK OPERATIONS GMBH (DE) 2020-04-21 US disclosed
US-10336856-B2 Alkoxysilane- and allophanate-functionalized coating materials EVONIK DEGUSSA GMBH (DE) 2019-07-02 US disclosed
US-20180327538-A1 PROCESS FOR PREPARING TRIMERS AND/OR OLIGOMERS OF DIISOCYANATES EVONIK OPERATIONS GMBH (DE) 2018-11-15 US disclosed
US-20180312713-A1 Coating compositions comprising monoallophanates based on alkoxysilane alkyl isocyanates EVONIK DEGUSSA GMBH (DE) 2018-11-01 US disclosed
US-10093826-B2 Alkoxysilane-functionalized allophanate-containing coating compositions EVONIK DEGUSSA GMBH (DE) 2018-10-09 US disclosed
US-20180155515-A1 STORAGE-STABLE ONE-COMPONENT POLYURETHANE PREPREGS AND SHAPED BODIES COMPOSED OF POLYURETHANE COMPOSITION THAT HAVE BEEN PRODUCED THEREFROM EVONIK OPERATIONS GMBH (DE) 2018-06-07 US disclosed
US-9902095-B2 Production of fibre composite component part based on steel and polyurethane EVONIK DEGUSSA GMBH (DE) 2018-02-27 US disclosed
US-9902096-B2 Production of fibre composite component part based on aluminium and polyurethane EVONIK DEGUSSA GMBH (DE) 2018-02-27 US disclosed
US-20170369631-A1 ALKOXYSILANE- AND ALLOPHANATE-FUNCTIONALIZED COATING MATERIALS EVONIK DEGUSSA GMBH (DE) 2017-12-28 US disclosed
US-20170369736-A1 ALKOXYSILANE-FUNCTIONALIZED ALLOPHANATE-CONTAINING COATING COMPOSITIONS EVONIK DEGUSSA GMBH (DE) 2017-12-28 US disclosed
US-20150321393-A1 PRODUCTION OF FIBRE COMPOSITE COMPONENT PART BASED ON ALUMINIUM AND POLYURETHANE EVONIK INDUSTRIES AG (DE) 2015-11-12 US disclosed
US-20150321392-A1 PRODUCTION OF FIBRE COMPOSITE COMPONENT PART BASED ON STEEL AND POLYURETHANE EVONIK INDUSTRIES AG (DE) 2015-11-12 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-10336856-B2 Alkoxysilane- and allophanate-functionalized coating materials DDAH1, OR10J3, AP3S1 SLC22A1 1697/4885ALDH1A1 457/4885TP53 3754/4885
US-10093826-B2 Alkoxysilane-functionalized allophanate-containing coating compositions DDAH1, OR10J3, AP3S1 SLC22A1 2137/4885ALDH1A1 742/4885TP53 4625/4885

“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.