SCHEMBL6525718

SCHEMBL6525718

C[N+](C)(C)CCCNC(=O)CCCCCCCCCCCC[C@H]1C=CCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
USP2 O75604 1/20 0.51
ALOX15 P16050 1/20 0.51
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
FAAH O00519 3/20 0.35
DNM1 Q05193 2/20 0.33
PRCP P42785 1/20 0.32
CASP2 P42575 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32

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
SCHEMBL13743426 1.00 ALDH1A1 (0.51) ALDH1A1TDP1USP2ALOX15CA12
SCHEMBL13743013 0.93 ALDH1A1 (0.46) ALDH1A1TDP1USP2ALOX15KDM4E
SCHEMBL12847942 0.82 DNM1 (0.55) ALDH1A1TDP1USP2ALOX15CA12
SCHEMBL12847938 0.82 DNM1 (0.55) ALDH1A1TDP1USP2ALOX15CA12
SCHEMBL3397875 0.78 MEN1 (0.46) ALDH1A1TDP1USP2ALOX15FAAH
SCHEMBL3399288 0.78 MEN1 (0.46) ALDH1A1TDP1USP2ALOX15FAAH
SCHEMBL3397898 0.78 USP2 (0.68) ALDH1A1TDP1USP2ALOX15DNM1
SCHEMBL6522833 0.78 USP2 (0.68) ALDH1A1TDP1USP2ALOX15DNM1
SCHEMBL12847941 0.77 DNM1 (0.48) ALDH1A1TDP1USP2ALOX15DNM1
SCHEMBL6524118 0.77 DNM1 (0.48) ALDH1A1TDP1USP2ALOX15DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052513-A1 CATIONIC SURFACTANT COMPOUNDS, USE THEREOF AS CONDITIONER, COSMETIC TREATMENT METHOD, AND COSMETIC OR PHARMACEUTICAL COMPOSITIONS COMPRISING SAME L' OREAL (FR) 2011-03-03 US disclosed
WO-2009101321-A2 CATIONIC SURFACTANT COMPOUNDS, USE THEREOF AS CONDITIONER, COSMETIC TREATMENT METHOD, AND COSMETIC OR PHARMACEUTICAL COMPOSITIONS COMPRISING SAME L'OREAL (FR) 2009-08-20 WO 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-20110052513-A1 CATIONIC SURFACTANT COMPOUNDS, USE THEREOF AS CONDITIONER, COSMETIC TREATMENT METHOD, AND COSMETIC OR PHARMACEUTICAL COMPOSITIONS COMPRISING SAME SGMS2, SGMS1, CATSPER1 ALDH1A1 2384/4885TDP1 3929/4885USP2 4456/4885

“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.