SCHEMBL5345531

SCHEMBL5345531

CCCCCCCC/C=C\CCCCCCCC(=O)OCCN(C)CCO

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.62
DNM1 Q05193 1/20 0.61
EPHX2 P34913 2/20 0.56
DGKA P23743 2/20 0.56
CNR1 P21554 2/20 0.53
CNR2 P34972 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
PRKCA P17252 2/20 0.53
PRKCE Q02156 1/20 0.53
PRKCQ Q04759 1/20 0.53
PRKCD Q05655 1/20 0.53
TRPV1 Q8NER1 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
SCHEMBL5345533 1.00 MGLL (0.62) MGLLDNM1EPHX2DGKACNR1
SCHEMBL5868433 0.94 DNM1 (0.69) MGLLDNM1EPHX2DGKACNR1
SCHEMBL4397833 0.94 MGLL (0.52) MGLLDNM1EPHX2DGKACNR1
SCHEMBL5868436 0.94 DNM1 (0.69) MGLLDNM1EPHX2DGKACNR1
Hydrochloric Acid SCHEMBL5868346 0.93 DNM1 (0.67) MGLLDNM1EPHX2DGKACNR1
Hydrochloric Acid SCHEMBL5868342 0.93 DNM1 (0.67) MGLLDNM1EPHX2DGKACNR1
SCHEMBL20017916 0.92 DNM1 (0.65) MGLLDNM1EPHX2DGKACNR1
SCHEMBL9134319 0.91 DNM1 (0.73) MGLLDNM1DGKAALDH1A1MAPT
SCHEMBL9132037 0.91 DNM1 (0.73) MGLLDNM1DGKAALDH1A1MAPT
SCHEMBL9132759 0.91 DNM1 (0.73) MGLLDNM1DGKAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189687-B2 Softener composition KAO CORPORATION (JP) 2007-03-13 US disclosed
US-20050090423-A1 Softener composition KAO CORPORATION 2005-04-28 US disclosed
EP-1264874-B1 Softener composition KAO CORP (JP) 2005-03-02 EP disclosed
US-6838427-B2 For fabrics, imparts high softening regardless of the state of the rinsing water; specified mole ratio of 2 types of optionally ester or amide-functional tertiary amines or their ammonium salts and a sulfonate or sulfate anionic surfactant KAO CORPORATION (JP) 2005-01-04 US disclosed
US-20030060389-A1 Softener composition KAO CORPORATION (JP) 2003-03-27 US disclosed
EP-1264874-A1 Softener composition Kao Corporation (JP) 2002-12-11 EP disclosed
EP-0684223-A1 Solvent free quaternization of tertiary amines with dimethylsulfate HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-29 EP disclosed
US-5463094-A Solvent free quaternization of tertiary amines with dimethylsulfate HOECHST CELANESE CORPORATION (US) 1995-10-31 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-20050090423-A1 Softener composition C1R, H1-10, C1S MGLL 154/4885DNM1 1535/4885EPHX2 513/4885

“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.