SCHEMBL6521153

SCHEMBL6521153

CN(C)CCCOC(=O)CCCCCCCCCCCC[C@H]1C=CCC1.CN(C)CCCOC(=O)CCCCCCCCCC[C@H]1C=CCC1.[CH2]CCN(C)C

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
USP2 O75604 1/20 0.61
ALOX15 P16050 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
DNM1 Q05193 1/20 0.41
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DGKA P23743 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30

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
SCHEMBL13743010 0.94 ALDH1A1 (0.68) ALDH1A1USP2ALOX15TDP1DNM1
SCHEMBL12794350 0.94 ALDH1A1 (0.68) ALDH1A1USP2ALOX15TDP1DNM1
SCHEMBL12794352 0.94 ALDH1A1 (0.68) ALDH1A1USP2ALOX15TDP1DNM1
SCHEMBL12794355 0.88 ALDH1A1 (0.60) ALDH1A1USP2ALOX15TDP1DNM1
SCHEMBL3397898 0.78 USP2 (0.68) ALDH1A1USP2ALOX15TDP1DNM1
SCHEMBL6522833 0.78 USP2 (0.68) ALDH1A1USP2ALOX15TDP1DNM1
SCHEMBL20924903 0.76 ALDH1A1 (0.48) ALDH1A1USP2ALOX15TDP1DNM1
SCHEMBL12847942 0.73 DNM1 (0.55) ALDH1A1USP2ALOX15TDP1DNM1
SCHEMBL12847938 0.73 DNM1 (0.55) ALDH1A1USP2ALOX15TDP1DNM1
SCHEMBL3400533 0.72 ALDH1A1 (0.60) ALDH1A1USP2ALOX15TDP1TSHR

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 1 patent. 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

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 2384/4885USP2 4456/4885ALOX15 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.