SCHEMBL2385111

SCHEMBL2385111

C[N+](C)(C)c1ccccc1.C[O-]

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.82
APOBEC3G Q9HC16 1/20 0.82
ACHE P22303 8/20 0.44
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 4/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP3A4 P08684 1/20 0.33
BCHE P06276 3/20 0.32
ALPL P05186 1/20 0.31
POLB P06746 1/20 0.31
ALPG P10696 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TP53 P04637 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
SCHEMBL147815 0.94 APOBEC3A (0.93) APOBEC3AAPOBEC3GACHEALDH1A1TDP1
SCHEMBL12020269 0.94 APOBEC3A (0.93) APOBEC3AAPOBEC3GACHEALDH1A1TDP1
Bromide SCHEMBL238552 0.90 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1TDP1
Bromide SCHEMBL80469 0.90 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1TDP1
Iodide SCHEMBL238393 0.90 APOBEC3A (1.00) APOBEC3AAPOBEC3GACHEALDH1A1TDP1
Water SCHEMBL35582 0.90 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1TDP1
SCHEMBL7546894 0.90 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1TDP1
Bromide SCHEMBL10995909 0.90 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1TDP1
SCHEMBL7546898 0.90 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1TDP1
Bromide SCHEMBL3899566 0.90 APOBEC3A (0.88) APOBEC3AAPOBEC3GACHEALDH1A1TDP1

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 24 patents — showing the first 20. 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-20110224458-A1 PREPARATION OF METHIONINE OR SELENOMETHIONINE FROM HOMOSERINE VIA A 4-SUBSTITUTED 2-AMINOBUTANOIC ACID INTERMEDIATE NOVUS INTERNATIONAL INC. (US) 2011-09-15 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-20150321393-A1 PRODUCTION OF FIBRE COMPOSITE COMPONENT PART BASED ON ALUMINIUM AND POLYURETHANE EVONIK INDUSTRIES AG (DE) 2015-11-12 US disclosed
US-8742170-B2 Preparation of methionine or selenomethionine from homoserine via a 4-substituted 2-aminobutanoic acid intermediate NOVUS INTERNATIONAL, INC. (US) 2014-06-03 US disclosed
US-20110224458-A1 PREPARATION OF METHIONINE OR SELENOMETHIONINE FROM HOMOSERINE VIA A 4-SUBSTITUTED 2-AMINOBUTANOIC ACID INTERMEDIATE NOVUS INTERNATIONAL INC. (US) 2011-09-15 US disclosed
WO-2010118274-A1 PREPARATION OF 6-KETO, 3-ALKOXY MORPHINANS MALLINCKRODT INC. (US) 2010-10-14 WO disclosed
US-20100261906-A1 Preparation of 6-Keto, 3-Alkoxy Morphinans MALLINCKRODT INC. (US) 2010-10-14 US disclosed
US-6972332-B1 Process for the production of opiates ACURA PHARMACEUTICALS, INC. (US) 2005-12-06 US disclosed
US-20050261500-A1 PROCESS FOR THE PRODUCTION OF OPIATES SCHUTTE, JOHN 2005-11-24 US disclosed
US-6949645-B1 Process for the production of opiates ACURA PHARMACEUTICALS, INC. (US) 2005-09-27 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-10336856-B2 Alkoxysilane- and allophanate-functionalized coating materials DDAH1, OR10J3, AP3S1 APOBEC3A 1140/4885APOBEC3G 1858/4885ACHE 4525/4885
US-10093826-B2 Alkoxysilane-functionalized allophanate-containing coating compositions DDAH1, OR10J3, AP3S1 APOBEC3A 1329/4885APOBEC3G 2317/4885ACHE 4103/4885
US-20100261906-A1 Preparation of 6-Keto, 3-Alkoxy Morphinans FASN, CYP2D6, CYP2B6 APOBEC3A 438/4885APOBEC3G 331/4885ACHE 935/4885
US-20050261500-A1 PROCESS FOR THE PRODUCTION OF OPIATES OPRM1, OPRK1, POP1 APOBEC3A 2802/4885APOBEC3G 3135/4885ACHE 11/4885
US-20110224458-A1 PREPARATION OF METHIONINE OR SELENOMETHIONINE FROM HOMOSERINE VIA A 4-SUBSTITUTED 2-AMINOBUTANOIC ACID INTERMEDIATE MTR, CBS, ABAT APOBEC3A 3356/4885APOBEC3G 3619/4885ACHE 4455/4885

“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.