SCHEMBL5344068

SCHEMBL5344068

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

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.67
ALDH1A1 P00352 2/20 0.67
HPGD P15428 2/20 0.67
TRPV1 Q8NER1 1/20 0.67
MEN1 O00255 1/20 0.67
MAPT P10636 1/20 0.67
ALOX12 P18054 1/20 0.67
BLM P54132 1/20 0.67
KMT2A Q03164 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
EPHX2 P34913 2/20 0.64
SLC6A5 Q9Y345 2/20 0.63
DNM1 Q05193 1/20 0.62

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
SCHEMBL5344072 1.00 CNR1 (0.67) CNR1ALDH1A1HPGDTRPV1MEN1
Bromide SCHEMBL30094567 0.92 EPHX2 (0.68) CNR1ALDH1A1HPGDTRPV1MEN1
Bromide SCHEMBL30094697 0.92 EPHX2 (0.68) CNR1ALDH1A1HPGDTRPV1MEN1
Bromide SCHEMBL11566193 0.90 DNM1 (0.71) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL31324737 0.90 DNM1 (0.72) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL18157806 0.89 EPHX2 (0.67) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL25134837 0.87 DNM1 (0.82) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL9505196 0.87 DNM1 (0.82) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL14060400 0.87 DNM1 (0.82) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL6417641 0.87 DNM1 (0.82) CNR1ALDH1A1HPGDTRPV1MEN1

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 6 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

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 CNR1 123/4885ALDH1A1 1122/4885HPGD 3920/4885

“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.