SCHEMBL4582486

SCHEMBL4582486

CC1=C(N2CCCC2)C(=O)CCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.36
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 6/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
BLM P54132 1/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PABPC1 P11940 1/20 0.31
ALDH1A3 P47895 2/20 0.31

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
SCHEMBL120459 0.89 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1ALDH1A1MAPTHPGD
SCHEMBL6129238 0.87 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1ALDH1A1MAPTHPGD
SCHEMBL1396725 0.76
SCHEMBL24415283 0.72 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1ALDH1A1MAPTHPGD
SCHEMBL30738875 0.71 TRIM24 (0.35) SMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL6129223 0.69 MAPT (0.44) SMN1; SMN2HTTL3MBTL1ALDH1A1MAPT
SCHEMBL10446742 0.69 APAF1 (0.39) SMN1; SMN2HTTL3MBTL1ALDH1A1MAPT
Butane SCHEMBL7750589 0.68 GAA (0.41) HTTTSHRGAA
SCHEMBL1674760 0.68 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1ALDH1A1MAPTHPGD
SCHEMBL469465 0.68 TYR (0.43) SMN1; SMN2L3MBTL1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008049651-A1 PERFORMANCE-ENHANCED COSMETIC COMPOSITIONS WITH PURINE AND/OR PURINE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2008-05-02 WO claimed
EP-1880705-A2 Brightening and/or colouring composition with improved product sensation HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP claimed
US-20050000529-A1 Method and compositions for imparting cooling effect to tobacco products VECTOR TOBACCO INC. 2005-01-06 US claimed
EP-1455609-A2 METHOD AND COMPOSITIONS FOR IMPARTING COOLING EFFECT TO TOBACCO PRODUCTS Vector Tobacco Inc. (US) 2004-09-15 EP claimed
US-20040052828-A1 Consumable product including consumable component and alpha-keto enamine derivatives NESTEC S.A. (CH) 2004-03-18 US claimed
WO-2003053176-A2 METHOD AND COMPOSITIONS FOR IMPARTING COOLING EFFECT TO TOBACCO PRODUCTS VECTOR TOBACCO INC. (US) 2003-07-03 WO claimed
US-20020022039-A1 Method of using alpha-keto enamine derivatives as ingredients and products incorporating same NESTEC S.A. (CH) 2002-02-21 US claimed
WO-2008049651-A1 PERFORMANCE-ENHANCED COSMETIC COMPOSITIONS WITH PURINE AND/OR PURINE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2008-05-02 WO disclosed
EP-1880705-A2 Brightening and/or colouring composition with improved product sensation HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP disclosed
US-20050000529-A1 Method and compositions for imparting cooling effect to tobacco products VECTOR TOBACCO INC. 2005-01-06 US disclosed
EP-1455609-A2 METHOD AND COMPOSITIONS FOR IMPARTING COOLING EFFECT TO TOBACCO PRODUCTS Vector Tobacco Inc. (US) 2004-09-15 EP disclosed
US-20040086476-A1 Anti-dandruff and anti-itch compositions containing sensate and sensate enhancer-containing compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. 2004-05-06 US disclosed
US-20040052828-A1 Consumable product including consumable component and alpha-keto enamine derivatives NESTEC S.A. (CH) 2004-03-18 US disclosed
US-20030161802-A1 Anti-dandruff and anti-itch compositions containing sensate and sensate enhancer-containing compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. 2003-08-28 US disclosed
EP-1332772-A2 Anti-dandruff and anti-itch compositions containing a cooling sensate material and a cooling sensate enhancer INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2003-08-06 EP disclosed
US-6592884-B2 Food, cosmetics, drugs; cooling skin, mouth NESTEC S.A. (CH) 2003-07-15 US disclosed
WO-2003053176-A2 METHOD AND COMPOSITIONS FOR IMPARTING COOLING EFFECT TO TOBACCO PRODUCTS VECTOR TOBACCO INC. (US) 2003-07-03 WO disclosed
US-20020022039-A1 Method of using alpha-keto enamine derivatives as ingredients and products incorporating same NESTEC S.A. (CH) 2002-02-21 US disclosed
EP-1157617-A2 Use of alpha-keto enamine derivatives as ingredients Société des Produits Nestlé S.A. (CH) 2001-11-28 EP 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-20040052828-A1 Consumable product including consumable component and alpha-keto enamine derivatives PKN2, OPRD1, PKN1 SMN1; SMN2 2021/4885HTT 2599/4885L3MBTL1 3770/4885
US-20020022039-A1 Method of using alpha-keto enamine derivatives as ingredients and products incorporating same ECH1, KMO, PKN1 SMN1; SMN2 3101/4885HTT 2330/4885L3MBTL1 3305/4885

“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.