SCHEMBL3397898

SCHEMBL3397898

C[N+](C)(C)CCCOC(=O)CCCCCCCCCC[C@H]1C=CCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.68
ALDH1A1 P00352 1/20 0.68
ALOX15 P16050 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
ADRA2A P08913 1/20 0.41
ADRA1A P35348 1/20 0.41
MAPT P10636 2/20 0.40
BLM P54132 1/20 0.40
DGKA P23743 1/20 0.36
FABP3 P05413 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NR5A2 O00482 1/20 0.33
NR5A1 Q13285 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NAAA Q02083 2/20 0.31
DNM1 Q05193 1/20 0.31
PGR P06401 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
SCHEMBL6522833 1.00 USP2 (0.68) USP2ALDH1A1ALOX15TDP1ADRA2A
SCHEMBL3400533 0.93 ALDH1A1 (0.60) USP2ALDH1A1ALOX15TDP1ADRA2A
SCHEMBL3400540 0.93 ALDH1A1 (0.60) USP2ALDH1A1ALOX15TDP1ADRA2A
SCHEMBL13743010 0.82 ALDH1A1 (0.68) USP2ALDH1A1ALOX15TDP1DGKA
SCHEMBL12794373 0.81 USP2 (0.67) USP2ALDH1A1ALOX15TDP1MAPT
SCHEMBL13743354 0.81 USP2 (0.67) USP2ALDH1A1ALOX15TDP1MAPT
SCHEMBL6524550 0.81 USP2 (0.67) USP2ALDH1A1ALOX15TDP1MAPT
SCHEMBL6521153 0.78 ALDH1A1 (0.61) USP2ALDH1A1ALOX15TDP1DGKA
SCHEMBL13743426 0.78 ALDH1A1 (0.51) USP2ALDH1A1ALOX15TDP1L3MBTL1
SCHEMBL12794355 0.77 ALDH1A1 (0.60) USP2ALDH1A1ALOX15TDP1MAPT

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 3 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
EP-2249780-A2 CATIONIC SURFACTANT COMPOUNDS, USE THEREOF AS CONDITIONER, COSMETIC TREATMENT METHOD, AND COSMETIC OR PHARMACEUTICAL COMPOSITIONS COMPRISING SAME L'Oréal (FR) 2010-11-17 EP 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 USP2 4456/4885ALDH1A1 2384/4885ALOX15 731/4885

“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.