SCHEMBL3857937

SCHEMBL3857937

CCCCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 10/20 0.67
HTT P42858 2/20 0.67
SLC22A1 O15245 1/20 0.65
ALDH1A1 P00352 1/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
ALOX12 P18054 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HIF1A Q16665 1/20 0.61
HSD17B10 Q99714 1/20 0.61
LSS P48449 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL3369707 1.00 DNM1 (0.67) DNM1HTTSLC22A1ALDH1A1TP53
SCHEMBL2012703 1.00 DNM1 (0.67) DNM1HTTSLC22A1ALDH1A1TP53
SCHEMBL508824 1.00 DNM1 (0.67) DNM1HTTSLC22A1ALDH1A1TP53
SCHEMBL5299524 1.00 DNM1 (0.67) DNM1HTTSLC22A1ALDH1A1TP53
SCHEMBL15762688 1.00 DNM1 (0.67) DNM1HTTSLC22A1ALDH1A1TP53
SCHEMBL638660 1.00 DNM1 (0.67) DNM1HTTSLC22A1ALDH1A1TP53
SCHEMBL4197957 1.00 DNM1 (0.67) DNM1HTTSLC22A1ALDH1A1TP53
SCHEMBL11103002 1.00 DNM1 (0.67) DNM1HTTSLC22A1ALDH1A1TP53
SCHEMBL3309839 1.00 DNM1 (0.67) DNM1HTTSLC22A1ALDH1A1TP53
SCHEMBL333129 1.00 DNM1 (0.67) DNM1HTTSLC22A1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7578971-B2 methyltricaprylylammonium phenoxide as phase transfer agent, pH sensitive color indicator is thymol blue, and ethoxylated alcohol is octylphenol ethoxylate; polyethersulfone as a solid support; excellent resistance to humidity; located in an esophageal breathing system MERCURY ENTERPRISES, INC. (US) 2009-08-25 US claimed
EP-2890668-B1 PERYLENE DERIVATIVES AS BUILDING BLOCKS FOR ORGANIC ELECTRONIC MATERIALS AND DYESTUFF BASF SE (DE) 2019-08-21 EP disclosed
CN-104603112-B Functionalization of peri-sites of perylenes and naphthalene monoimides via a multifunctional building block double donor 巴斯夫欧洲公司 2017-06-16 CN disclosed
US-9630973-B2 Double donor functionalisation of the peri-positions of perylene and naphthalene monoimide via versatile building blocks BASF SE (DE) 2017-04-25 US disclosed
CN-104583161-B The naphthalene prepared as the convenience of the construction unit of organic electronic material and dyestuff and derivant 巴斯夫欧洲公司 2016-12-14 CN disclosed
US-9382264-B2 Conveniently prepared naphthalene and perylene derivatives as building blocks for organic electronic materials and dyestuff BASF SE (DE) 2016-07-05 US disclosed
US-20150225418-A1 CONVENIENTLY PREPARED NAPHTHALENE AND PERYLENE DERIVATIVES AS BUILDING BLOCKS FOR ORGANIC ELECTRONIC MATERIALS AND DYESTUFF BASF SE (DE) 2015-08-13 US disclosed
US-20150225413-A1 DOUBLE DONOR FUNCTIONALISATION OF THE PERI-POSITIONS OF PERYLENE AND NAPHTHALENE MONOIMIDE VIA VERSATILE BUILDING BLOCKS BASF SE (DE) 2015-08-13 US disclosed
EP-2890681-A2 DOUBLE DONOR FUNCTIONALISATION OF THE PERI-POSITIONS OF PERYLENE AND NAPHTHALENE MONOIMIDE VIA VERSATILE BUILDING BLOCKS BASF SE (DE) 2015-07-08 EP disclosed
EP-2890668-A2 CONVENIENTLY PREPARED NAPHTHALENE AND PERYLENE DERIVATIVES AS BUILDING BLOCKS FOR ORGANIC ELECTRONIC MATERIALS AND DYESTUFF BASF SE (DE) 2015-07-08 EP disclosed
CN-104603112-A Functionalization of peri-sites of perylenes and naphthalene monoimides via a multifunctional building block double donor BASF SE 2015-05-06 CN disclosed
CN-104583161-A Conveniently prepared naphthalene and perylene derivatives as building blocks for organic electronic materials and dyestuff BASF SE 2015-04-29 CN disclosed
WO-2014033620-A2 DOUBLE DONOR FUNCTIONALISATION OF THE PERI-POSITIONS OF PERYLENE AND NAPHTHALENE MONOIMIDE VIA VERSATILE BUILDING BLOCKS DEBASF SE (DE) 2014-03-06 WO disclosed
WO-2014033622-A2 CONVENIENTLY PREPARED NAPHTHALENE AND PERYLENE DERIVATIVES AS BUILDING BLOCKS FOR ORGANIC ELECTRONIC MATERIALS AND DYESTUFF BASF SE (DE) 2014-03-06 WO disclosed
US-7169863-B2 Salts of lewis acid/acid adducts and catalyst activators therefrom DOW GLOBAL TECHNOLOGIES INC. (US) 2007-01-30 US disclosed
US-20040162215-A1 Salts of lewis acid/acid adducts and catalyst activators therefrom THE DOW CHEMICAL COMPANY 2004-08-19 US disclosed
EP-1412365-A1 SALT OF LEWIS ACID/ACID ADDUCTS AND CATALYST ACTIVATORS THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2004-04-28 EP disclosed
US-6727329-B2 USEFUL IN SOLUTION, GAS PHASE, SLURRY AND CATIONIC POLYMERIZATION OF OLEFINS DOW GLOBAL TECHNOLOGY INC. 2004-04-27 US disclosed
US-20030032549-A1 Salts of lewis acid/acid adducts and catalyst activators therefrom DOW GLOBAL TECHNOLOGIES INC. 2003-02-13 US disclosed
WO-2003010171-A1 SALT OF LEWIS ACID/ACID ADDUCTS AND CATALYST ACTIVATORS THEREFROM DOW GLOBAL TECHNOLOGIES, INC. (US) 2003-02-06 WO 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-20150225418-A1 CONVENIENTLY PREPARED NAPHTHALENE AND PERYLENE DERIVATIVES AS BUILDING BLOCKS FOR ORGANIC ELECTRONIC MATERIALS AND DYESTUFF NR0B2, NR0B1, OR10J3 DNM1 4147/4885HTT 2684/4885SLC22A1 842/4885
US-20150225413-A1 DOUBLE DONOR FUNCTIONALISATION OF THE PERI-POSITIONS OF PERYLENE AND NAPHTHALENE MONOIMIDE VIA VERSATILE BUILDING BLOCKS NR0B2, NR0B1, NR1I3 DNM1 1333/4885HTT 3579/4885SLC22A1 2725/4885
US-20030032549-A1 Salts of lewis acid/acid adducts and catalyst activators therefrom SSB, NCF1, CD79B DNM1 918/4885HTT 4584/4885SLC22A1 1157/4885

“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.