SCHEMBL6524550

SCHEMBL6524550

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.67
ALDH1A1 P00352 1/20 0.67
ALOX15 P16050 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
KDM4E B2RXH2 1/20 0.41
DUSP3 P51452 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
ENPP2 Q13822 4/20 0.37
LPAR6 P43657 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR4 Q99677 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
MAPT P10636 1/20 0.37
DGKA P23743 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL13743354 1.00 USP2 (0.67) USP2ALDH1A1ALOX15TDP1KDM4E
SCHEMBL12794373 1.00 USP2 (0.67) USP2ALDH1A1ALOX15TDP1KDM4E
SCHEMBL12794372 0.93 USP2 (0.59) USP2ALDH1A1ALOX15TDP1ENPP2
SCHEMBL6522833 0.81 USP2 (0.68) USP2ALDH1A1ALOX15TDP1MAPT
SCHEMBL3397898 0.81 USP2 (0.68) USP2ALDH1A1ALOX15TDP1MAPT
SCHEMBL6522837 0.78 KDM4E (0.46) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL6524952 0.78 KDM4E (0.46) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL3400533 0.76 ALDH1A1 (0.60) USP2ALDH1A1ALOX15TDP1MAPT
SCHEMBL3400540 0.76 ALDH1A1 (0.60) USP2ALDH1A1ALOX15TDP1MAPT
SCHEMBL13743010 0.74 ALDH1A1 (0.68) USP2ALDH1A1ALOX15TDP1KDM4E

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
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 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.