SCHEMBL5608034

SCHEMBL5608034

CCC(CN)CC(C)CN

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32

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
SCHEMBL13105921 0.95 ALDH1A1 (0.41) ALDH1A1TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL12262046 0.95 ALDH1A1 (0.41) ALDH1A1TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL799853 0.95 ALDH1A1 (0.41) ALDH1A1TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL14564297 0.92 ALDH1A1 (0.40) ALDH1A1TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL2830761 0.92 ALDH1A1 (0.40) ALDH1A1TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL29626924 0.89 ALDH1A1 (0.39) ALDH1A1TDP1GABBR2GABBR1
SCHEMBL11705769 0.89 ALDH1A1 (0.44) ALDH1A1TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL30591102 0.84 ALDH1A1 (0.41) ALDH1A1TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL16804217 0.82 ALDH1A1 (0.37) ALDH1A1TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL8508421 0.82 TRPA1 (0.42) ALDH1A1TDP1CACNA2D1CACNB3CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331516-A1 Process for Preparation of Sevelamer Carbonate USV LTD. (IN) 2010-12-30 US disclosed
US-20090238888-A1 RADICAL POLYMERIZATION METHOD AND PRODUCTS PREPARED THEREBY THE UNIVERSITY OF AKRON (US) 2009-09-24 US disclosed
US-20090238888-A1 RADICAL POLYMERIZATION METHOD AND PRODUCTS PREPARED THEREBY THE UNIVERSITY OF AKRON (US) 2009-09-24 US disclosed
EP-1678254-B1 POLYMERS WITH IMPROVED STRENGTH COMPRISING MIXED OXYALKYL UNITS HENKEL KGAA (DE) 2007-05-09 EP disclosed
WO-2007011406-A2 RADICAL POLYMERIZATION METHOD AND PRODUCTS PREPARED THEREBY THE UNIVERSITY OF AKRON (US) 2007-01-25 WO disclosed
EP-1685175-A1 POLYURETHANE COMPOSITIONS WITH NCO AND SILYL REACTIVITY Henkel Kommanditgesellschaft auf Aktien (DE) 2006-08-02 EP disclosed
EP-1678254-A1 POLYMERS WITH IMPROVED STRENGTH COMPRISING MIXED OXYALKYL UNITS Henkel Kommanditgesellschaft auf Aktien (DE) 2006-07-12 EP disclosed
EP-1307521-B1 AQUEOUS ADHESIVE SYSTEM, METHOD FOR THE PRODUCTION AND USE THEREOF HENKEL KGAA (DE) 2005-09-14 EP disclosed
WO-2005049684-A1 POLYURETHANE COMPOSITIONS WITH NCO AND SILYL REACTIVITY HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-06-02 WO disclosed
WO-2005047394-A1 POLYMERS WITH IMPROVED STRENGTH COMPRISING MIXED OXYALKYL UNITS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-05-26 WO disclosed
WO-2005044888-A1 STEAM-BLOCKING POLYURETHANE AND ADHESIVE MOULDED BODY PRODUCED THEREFROM HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-05-19 WO disclosed
WO-2005042610-A2 STORAGE-STABLE POLYURETHANE COMPRISING SILYL GROUPS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-05-12 WO disclosed
EP-1307521-A2 AQUEOUS ADHESIVE SYSTEM, METHOD FOR THE PRODUCTION AND USE THEREOF Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-07 EP disclosed
WO-2002012412-A2 AQUEOUS ADHESIVE SYSTEM, METHOD FOR THE PRODUCTION AND USE THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-02-14 WO disclosed
EP-0897944-A2 Process for impregnating of endless filaments with a thermoplast as well as the filament-matrix composite so produced HÜLS AKTIENGESELLSCHAFT (DE) 1999-02-24 EP disclosed
EP-0849300-A1 Polyurethanes with covalently bound photoinitiator-units BASF AKTIENGESELLSCHAFT (DE) 1998-06-24 EP disclosed
EP-0841357-A2 Process for the preparation of polyurethane hybrid dispersions. BASF AKTIENGESELLSCHAFT (DE) 1998-05-13 EP disclosed
US-5739209-A USING A SECONDARY AMINE-CONTAINING PRIMARY AMINE COMPOUND AS CURING AGENT FOR POLYEPOXIDES; PROTECTIVE COATINGS; FILMS; POTTING; WATERPROOFING; CHEMICAL RESISTANCE; CONCRETES; MATERIALS HANDLING AIR PRODUCTS AND CHEMICALS, INC. (US) 1998-04-14 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-20090238888-A1 RADICAL POLYMERIZATION METHOD AND PRODUCTS PREPARED THEREBY SRM, SMOX, SGMS1 ALDH1A1 1209/4885TDP1 2443/4885CACNA2D1 4828/4885

“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.