SCHEMBL2916402

SCHEMBL2916402

C=CCNCC(CN)NCC(C)N

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 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
SCHEMBL19604899 0.80
SCHEMBL723919 0.80
SCHEMBL2792048 0.79 SLC6A4 (0.30)
Hydrochloric Acid SCHEMBL10494657 0.78 ACHE (0.32) ALDH1A1
Hydrochloric Acid SCHEMBL10494674 0.78
SCHEMBL5570308 0.78
SCHEMBL8644699 0.78
SCHEMBL17251635 0.72
Acetic Acid SCHEMBL7184944 0.70 KDM4E (0.35) ALDH1A1
Allylamine SCHEMBL17220626 0.69 ALDH1A1 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070044810-A1 Method of enhanced drug application JR CHEM, LLC 2007-03-01 US claimed
WO-2007005469-A2 METHOD OF ENHANCED BENZOYL PEROXIDE APPLICATION JR CHEM, LLC (US) 2007-01-11 WO claimed
US-20070003504-A1 Method of enhanced benzoyl peroxide application JR CHEM, LLC 2007-01-04 US claimed
WO-2007002880-A2 METHOD OF ENHANCED DRUG APPLICATION JR CHEM, LLC (US) 2007-01-04 WO claimed
EP-1285647-B1 Hair cosmetic comprising guanidine derivative and N-alpha-acylarginine AJINOMOTO KK (JP) 2010-08-04 EP disclosed
US-20070044810-A1 Method of enhanced drug application JR CHEM, LLC 2007-03-01 US disclosed
WO-2007005469-A2 METHOD OF ENHANCED BENZOYL PEROXIDE APPLICATION JR CHEM, LLC (US) 2007-01-11 WO disclosed
US-20070003504-A1 Method of enhanced benzoyl peroxide application JR CHEM, LLC 2007-01-04 US disclosed
WO-2007002880-A2 METHOD OF ENHANCED DRUG APPLICATION JR CHEM, LLC (US) 2007-01-04 WO disclosed
US-6878378-B1 External skin care composition KAO CORPORATION (JP) 2005-04-12 US disclosed
US-20050013790-A1 External skin care composition KAO CORPORATION (JP) 2005-01-20 US disclosed
US-20030108508-A1 Hair rinsing, conditioning, setting AJINOMOTO CO., INC (JP) 2003-06-12 US disclosed
EP-1285647-A2 Hair cosmetic comprising guanidine derivative and N-alpha-acylarginine Ajinomoto Co., Inc. (JP) 2003-02-26 EP disclosed
EP-1051965-A2 External skin care composition Kao Corporation (JP) 2000-11-15 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-20030108508-A1 Hair rinsing, conditioning, setting PRMT1, ARG1, PRMT5 ALDH1A1 218/4885

“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.