SCHEMBL296799

SCHEMBL296799

CCCCCCCCCCCCCCCCCC[N+](C)(CCO)CCO

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.67
PSMD14 O00487 1/20 0.55
PLA2G1B P04054 1/20 0.55
MMP2 P08253 1/20 0.55
RAD52 P43351 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
HTT P42858 1/20 0.52
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 1/20 0.50
SLC22A1 O15245 1/20 0.50

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
SCHEMBL5176938 1.00 DNM1 (0.67) DNM1PSMD14PLA2G1BMMP2RAD52
SCHEMBL9163282 1.00 DNM1 (0.67) DNM1PSMD14PLA2G1BMMP2RAD52
SCHEMBL4264376 1.00 DNM1 (0.67) DNM1PSMD14PLA2G1BMMP2RAD52
SCHEMBL1421833 1.00 DNM1 (0.67) DNM1PSMD14PLA2G1BMMP2RAD52
SCHEMBL6558336 1.00 DNM1 (0.67) DNM1PSMD14PLA2G1BMMP2RAD52
SCHEMBL6142305 1.00 DNM1 (0.67) DNM1PSMD14PLA2G1BMMP2RAD52
SCHEMBL7782005 1.00 DNM1 (0.67) DNM1PSMD14PLA2G1BMMP2RAD52
SCHEMBL7773354 1.00 DNM1 (0.67) DNM1PSMD14PLA2G1BMMP2RAD52
SCHEMBL4448050 1.00 DNM1 (0.67) DNM1PSMD14PLA2G1BMMP2RAD52
SCHEMBL6141904 1.00 DNM1 (0.67) DNM1PSMD14PLA2G1BMMP2RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120107259-A1 METHOD TO IMPROVE SKIN AND HAIR FRAGRANCE RETENTION FROM PERSONAL CARE COMPOSITIONS ELEMENTIS SPECIALTIES, INC. (US) 2012-05-03 US claimed
JP-4314193-B2 2009-08-12 JP claimed
US-7329701-B2 Superabsorbent polymers and method of manufacturing the same BASF AKTIENGESELLSCHAFT (DE) 2008-02-12 US claimed
EP-1553989-B1 SUPERABSORBENT POLYMERS AND METHOD OF MANUFACTURING THE SAME BASF AG (DE) 2006-03-22 EP claimed
EP-1551467-B1 SUPERABSORBENT POLYMERS AND METHOD OF MANUFACTURING THE SAME BASF AG (DE) 2006-03-08 EP claimed
JP-2005536599-A 2005-12-02 JP claimed
JP-2005536598-A 2005-12-02 JP claimed
US-20050245393-A1 Superabsorbent polymers and method of manufacturing the same BASF AKTIENGESELLSCHAFT (DE) 2005-11-03 US claimed
US-20050239942-A1 Superabsorbent polymers and method of manufacturing the same BASF AKTIENGESELLSCHAFT (DE) 2005-10-27 US claimed
EP-1553989-A1 SUPERABSORBENT POLYMERS AND METHOD OF MANUFACTURING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2005-07-20 EP claimed
EP-1137594-A1 A POLYMER/CLAY NANOCOMPOSITE HAVING IMPROVED GAS BARRIER COMPRISING A CLAY MATERIAL WITH A MIXTURE OF TWO OR MORE ORGANIC CATIONS AND A PROCESS FOR PREPARING SAME EASTMAN CHEMICAL COMPANY (US) 2001-10-04 EP claimed
US-6274663-B1 INTERCALATION COMPOUND IN THERMOPLASTIC RESIN SHOWA DENKO K.K. (JP) 2001-08-14 US claimed
WO-2001004197-A1 A POLYAMIDE COMPOSITION COMPRISING A LAYERED CLAY MATERIAL MODIFIED WITH AN ALKOXYLATED ONIUM COMPOUND EASTMAN CHEMICAL COMPANY (US) 2001-01-18 WO claimed
WO-2000034380-A1 A POLYMER/CLAY NANOCOMPOSITE HAVING IMPROVED GAS BARRIER COMPRISING A CLAY MATERIAL WITH A MIXTURE OF TWO OR MORE ORGANIC CATIONS AND A PROCESS FOR PREPARING SAME EASTMAN CHEMICAL COMPANY (US) 2000-06-15 WO claimed
WO-2000034180-A1 A POLYMER/CLAY NANOCOMPOSITE HAVING IMPROVED GAS BARRIER COMPRISING A CLAY MATERIAL WITH A MIXTURE OF TWO OR MORE ORGANIC CATIONS AND A PROCESS FOR PREPARING SAME EASTMAN CHEMICAL COMPANY (US) 2000-06-15 WO claimed
WO-2000034378-A1 POLYMER/CLAY NANOCOMPOSITE AND PROCESS FOR MAKING SAME EASTMAN CHEMICAL COMPANY (US) 2000-06-15 WO claimed
WO-2000034376-A1 A POLYMER/CLAY NANOCOMPOSITE COMPRISING A CLAY MIXTURE AND A PROCESS FOR MAKING SAME EASTMAN CHEMICAL COMPANY (US) 2000-06-15 WO claimed
WO-2000034375-A1 A POLYMER/CLAY NANOCOMPOSITE COMPRISING A CLAY MIXTURE AND A PROCESS FOR MAKING SAME EASTMAN CHEMICAL COMPANY (US) 2000-06-15 WO claimed
EP-0408017-B1 DELIVERY SYSTEMS FOR QUATERNARY AND RELATED COMPOUNDS UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1993-09-29 EP claimed
EP-0408017-A2 Delivery systems for quaternary and related compounds UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1991-01-16 EP claimed

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-20120107259-A1 METHOD TO IMPROVE SKIN AND HAIR FRAGRANCE RETENTION FROM PERSONAL CARE COMPOSITIONS KRT18, CUTA, KPNA1 DNM1 4325/4885PSMD14 910/4885PLA2G1B 4067/4885

“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.