SCHEMBL6526416

SCHEMBL6526416

CN(C)CCCNC(=O)CCCCCCCCCCC1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.61
SIGMAR1 Q99720 3/20 0.57
KDM5A P29375 3/20 0.49
PHF8 Q9UPP1 3/20 0.49
KDM2A Q9Y2K7 3/20 0.49
KDM4C Q9H3R0 2/20 0.49
KDM4A O75164 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
GLA P06280 2/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL6525692 1.00 DNM1 (0.61) DNM1SIGMAR1KDM5APHF8KDM2A
SCHEMBL3400198 1.00 DNM1 (0.61) DNM1SIGMAR1KDM5APHF8KDM2A
SCHEMBL9664273 0.85 DNM1 (0.54) DNM1SIGMAR1KDM5APHF8KDM2A
SCHEMBL22260401 0.81 CASP2 (0.56) DNM1NAAA
SCHEMBL25834507 0.81 CASP2 (0.56) DNM1NAAA
SCHEMBL23899001 0.81 DNM1 (0.82) DNM1NAAAPAOX
SCHEMBL3397875 0.80 MEN1 (0.46) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL3399288 0.80 MEN1 (0.46) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL7137887 0.79 DNM1 (0.79) DNM1KDM5APHF8KDM2AKDM4C
SCHEMBL12794333 0.78 DNM1 (0.76) DNM1NAAA

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 4 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
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 DNM1 1805/4885SIGMAR1 3091/4885KDM5A 1813/4885

“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.