SCHEMBL7106263

SCHEMBL7106263

C(COCCN1CCOCC1)OCCN1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.54
KEAP1 Q14145 1/20 0.54
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
HTR2A P28223 1/20 0.47
SCN1A P35498 1/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.47
SCN2A Q99250 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
SCN3A Q9NY46 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
USP2 O75604 1/20 0.46

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
SCHEMBL111438 0.97 TSHR (0.58) TSHRSMN1; SMN2KEAP1ALDH1A1KDM4E
SCHEMBL3299959 0.89 KDM4E (0.55) TSHRSMN1; SMN2KEAP1ALDH1A1KDM4E
SCHEMBL22840863 0.89 KDM4E (0.55) TSHRSMN1; SMN2KEAP1ALDH1A1KDM4E
SCHEMBL92600 0.89 TSHR (0.53) TSHRSMN1; SMN2KEAP1ALDH1A1KDM4E
SCHEMBL3304967 0.89 ALDH1A1 (0.53) TSHRSMN1; SMN2KEAP1ALDH1A1KDM4E
SCHEMBL501602 0.89 TSHR (0.53) TSHRSMN1; SMN2KEAP1ALDH1A1KDM4E
SCHEMBL525957 0.89 KDM4E (0.55) TSHRSMN1; SMN2KEAP1ALDH1A1KDM4E
SCHEMBL11428304 0.89 TSHR (0.53) TSHRSMN1; SMN2KEAP1ALDH1A1KDM4E
SCHEMBL526235 0.89 TSHR (0.53) TSHRSMN1; SMN2KEAP1ALDH1A1KDM4E
SCHEMBL25564688 0.89 ALDH1A1 (0.53) TSHRSMN1; SMN2KEAP1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5455294-A Water hardenable poly(ether)urethane prepolymer stabilized with maleic anhydride and catalyzed with potassium carbonate and bis(2-morpholinoethoxy)ethane; storage stability Zhang, Wang Jian (TW) 1995-10-03 US claimed
US-9309271-B2 Preparation of isocyanato silanes MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2016-04-12 US disclosed
US-20150133682-A1 PREPARATION OF ISOCYANATO SILANES MOMENTIVE PERFORMANCE MATERIALS INC. 2015-05-14 US disclosed
EP-0775127-B1 N-ALKYL AMMONIUM ACETONITRILE BLEACH ACTIVATORS CLOROX CO (US) 2003-09-17 EP disclosed
EP-0968130-A4 N-ALKYL AMMONIUM ACETONITRILE ACTIVATORS IN DENSE GAS CLEANING AND METHOD CLOROX CO (US) 2002-08-14 EP disclosed
US-6017464-A A DIMERIC N-ALKYL AMMONIUM ACETONITRILE COMPOUNDS HAVING SATURATED RINGS THAT INCLUDE QUATERNIZED NITROGEN ATOMS AND TO WHICH CYANO GROUPS ARE BONDED THROUGH A SINGLE CARBON ATOM, AND A SOUCE OF OXYGEN PROVIDES ENHANCED BLEACHING THE CLOROX COMPANY (US) 2000-01-25 US disclosed
EP-0968130-A1 N-ALKYL AMMONIUM ACETONITRILE ACTIVATORS IN DENSE GAS CLEANING AND METHOD The Clorox Company (US) 2000-01-05 EP disclosed
US-5959104-A N-alkyl ammonium acetonitrile bleach activators THE CLOROX COMPANY (US) 1999-09-28 US disclosed
US-5958289-A A QUATERNARY NITROGEN CONTAINING HETEROCYCLIC NITRILE COMPOUND AND A PEROXY COMPOUND THE CLOROX COMPANY (US) 1999-09-28 US disclosed
US-5877315-A Dimeric N-Alkyl ammonium acetonitrile bleach activators THE CLOROX COMPANY (US) 1999-03-02 US disclosed
US-5741437-A SOURCE OF ACTIVE OXYGEN REACTS WITH NITRILE FOR BLEACHING APPLICATIONS THE CLOROX COMPANY (US) 1998-04-21 US disclosed
US-5739327-A OXYGEN BLEACHES OF NITRILE BONDED TO QUATERNARY NITROGEN THE CLOROX COMPANY (US) 1998-04-14 US disclosed
EP-0775127-A1 N-ALKYL AMMONIUM ACETONITRILE BLEACH ACTIVATORS The Clorox Company (US) 1997-05-28 EP disclosed
WO-1996040661-A1 N-ALKYL AMMONIUM ACETONITRILE BLEACH ACTIVATORS THE CLOROX COMPANY (US) 1996-12-19 WO disclosed
US-5455294-A Water hardenable poly(ether)urethane prepolymer stabilized with maleic anhydride and catalyzed with potassium carbonate and bis(2-morpholinoethoxy)ethane; storage stability Zhang, Wang Jian (TW) 1995-10-03 US disclosed
US-5455294-A Water hardenable poly(ether)urethane prepolymer stabilized with maleic anhydride and catalyzed with potassium carbonate and bis(2-morpholinoethoxy)ethane; storage stability Zhang, Wang Jian (TW) 1995-10-03 US disclosed
EP-0214852-B1 PERFLUOROAMINOETHERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-10-28 EP disclosed
US-5049670-A Pour point MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-09-17 US disclosed
US-4929725-A NONFLAMMABLE, HYDRAULIC FLUIDS MOORE GEORGE G I (US) 1990-05-29 US disclosed
US-4788339-A HIGH BOILING, LOW POUR POINT; HYDRAULIC FLUIDS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-11-29 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 (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-20150133682-A1 PREPARATION OF ISOCYANATO SILANES CLCN2, CLIC4, CLIC1 TSHR 4684/4885SMN1; SMN2 3414/4885KEAP1 362/4885

“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.