SCHEMBL18196840

SCHEMBL18196840

CN(C)CCN(C)C(=O)C(O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
ALDH1A1 P00352 1/20 0.64
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
CHRM3 P20309 8/20 0.51
CHRM2 P08172 8/20 0.51
CHRM1 P11229 8/20 0.51
CHRM4 P08173 3/20 0.51
KCNH2 Q12809 3/20 0.48
CYP2C19 P33261 2/20 0.48
SLC6A3 Q01959 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
THPO P40225 1/20 0.48
ABCB11 O95342 1/20 0.48
ESR1 P03372 1/20 0.48

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
SCHEMBL18196842 0.99 ALDH1A1 (0.65) POLBALDH1A1KEAP1NFE2L2CHRM3
SCHEMBL20253541 0.91 ALDH1A1 (0.62) POLBALDH1A1KEAP1NFE2L2CHRM3
SCHEMBL25134509 0.85 KEAP1 (0.60) POLBALDH1A1KEAP1NFE2L2CHRM3
SCHEMBL3042271 0.79 POLB (0.47) POLBALDH1A1KEAP1NFE2L2CHRM3
SCHEMBL5133653 0.78 ALDH1A1 (0.48) POLBALDH1A1KEAP1NFE2L2CHRM3
SCHEMBL4878955 0.78 ALDH1A1 (0.62) POLBALDH1A1KEAP1NFE2L2CHRM3
SCHEMBL4914500 0.77 KEAP1 (0.51) POLBALDH1A1KEAP1NFE2L2CHRM3
SCHEMBL3053693 0.77 ALDH1A1 (0.47) POLBALDH1A1KEAP1NFE2L2CHRM3
SCHEMBL3034644 0.77 POLB (0.45) POLBALDH1A1KEAP1NFE2L2CHRM3
SCHEMBL5134240 0.77 ALDH1A1 (0.47) POLBALDH1A1KEAP1NFE2L2CHRM3

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-10307355-B2 N-aralkylcarbonyldiamine compounds and personal care compositions comprising the same CONOPCO, INC. (US) 2019-06-04 US disclosed
US-20180161260-A1 N-ARALKYLCARBONYLDIAMINE COMPOUNDS AND PERSONAL CARE COMPOSITIONS COMPRISING THE SAME CONOPCO, INC., D/B/A UNILEVER (US) 2018-06-14 US disclosed
US-20180161260-A1 N-ARALKYLCARBONYLDIAMINE COMPOUNDS AND PERSONAL CARE COMPOSITIONS COMPRISING THE SAME CONOPCO, INC., D/B/A UNILEVER (US) 2018-06-14 US disclosed
WO-2016173818-A1 N-ARALKYLCARBONYLDIAMINE COMPOUNDS AND PERSONAL CARE COMPOSITIONS COMPRISING THE SAME UNILEVER PLC (GB) 2016-11-03 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 (2 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-10307355-B2 N-aralkylcarbonyldiamine compounds and personal care compositions comprising the same CUTA, AAAS, ACMSD POLB 1538/4885ALDH1A1 2552/4885KEAP1 253/4885
US-20180161260-A1 N-ARALKYLCARBONYLDIAMINE COMPOUNDS AND PERSONAL CARE COMPOSITIONS COMPRISING THE SAME CUTA, ACMSD, KRT18 POLB 878/4885ALDH1A1 2412/4885KEAP1 518/4885

“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.