SCHEMBL6708948

SCHEMBL6708948

CNC1CN(c2ccc(N)c(OC)c2)CC1O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.41
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SUV39H2 Q9H5I1 1/20 0.36
APP P05067 2/20 0.35
DPP4 P27487 4/20 0.35
CDK1 P06493 5/20 0.34
CDK2 P24941 5/20 0.34
HTT P42858 1/20 0.33
JAK2 O60674 1/20 0.33
EGFR P00533 1/20 0.32

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
SCHEMBL6708984 0.87 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL6712315 0.84 SUV39H2 (0.39) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL6710515 0.82 RAD52 (0.44) HRH4ALDH1A1CYP3A4TSHRTDP1
SCHEMBL6710390 0.82 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL13380493 0.82 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL6707057 0.78 HRH4 (0.40) HRH4CDK1CDK2
SCHEMBL6707618 0.77 HRH4 (0.45) HRH4ALDH1A1HSD17B10TDP1CDK1
SCHEMBL21938864 0.77 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL6710513 0.77 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL6708864 0.77 HRH4 (0.40) HRH4CDK1CDK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040074013-A1 Oxidation dyeing composition based on 1-(4-aminophenyl) pyrrolidines substituted in positions 3 and 4, and dyeing method using same L'OREAL S.A. (FR) 2004-04-22 US claimed
EP-1341510-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITIONS 3 AND 4, AND DYEING METHOD USING SAME L'OREAL (FR) 2003-09-10 EP claimed
WO-2002045671-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITIONS 3 AND 4, AND DYEING METHOD USING SAME L'OREAL (FR) 2002-06-13 WO claimed
US-20040074013-A1 Oxidation dyeing composition based on 1-(4-aminophenyl) pyrrolidines substituted in positions 3 and 4, and dyeing method using same L'OREAL S.A. (FR) 2004-04-22 US disclosed
EP-1341510-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITIONS 3 AND 4, AND DYEING METHOD USING SAME L'OREAL (FR) 2003-09-10 EP disclosed
WO-2002045671-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITIONS 3 AND 4, AND DYEING METHOD USING SAME L'OREAL (FR) 2002-06-13 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-20040074013-A1 Oxidation dyeing composition based on 1-(4-aminophenyl) pyrrolidines substituted in positions 3 and 4, and dyeing method using same KRT18, PYCR1, COX5A HRH4 846/4885ALDH1A1 203/4885CYP3A4 244/4885

“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.