SCHEMBL7556847

SCHEMBL7556847

COc1ccc(NCC(O)C(CO)Oc2ccc(N)cc2N)cc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
MAPT P10636 5/20 0.36
KDM4E B2RXH2 4/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
NPC1 O15118 1/20 0.36
ESR1 P03372 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ESR2 Q92731 1/20 0.36
GAA P10253 4/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
HTT P42858 3/20 0.34
CYP3A4 P08684 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MMP9 P14780 2/20 0.33

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
SCHEMBL5384300 0.83 GAA (0.36) ALDH1A1MAPTKDM4ELMNATP53
SCHEMBL6666136 0.79 BCL6 (0.39) ALDH1A1MAPTKDM4ELMNATP53
SCHEMBL7130834 0.72 KDM4E (0.38) ALDH1A1MAPTKDM4ELMNATP53
SCHEMBL7556850 0.71 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ELMNATP53
SCHEMBL6284037 0.71 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL7601405 0.71 GAA (0.47) ALDH1A1MAPTKDM4ETP53NPC1
SCHEMBL5686602 0.71 GAA (0.47) ALDH1A1MAPTKDM4ETP53NPC1
SCHEMBL5384305 0.71 GAA (0.38) ALDH1A1MAPTKDM4ELMNATP53
SCHEMBL29358077 0.70 GAA (0.47) ALDH1A1MAPTKDM4ELMNATP53
SCHEMBL36033 0.70 GAA (0.47) ALDH1A1MAPTKDM4ELMNATP53

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-20020100127-A1 Novel coupler for use in oxidative hair dyeing WELLA OPERATIONS US, LLC 2002-08-01 US claimed

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-20020100127-A1 Novel coupler for use in oxidative hair dyeing CBR1, CBR3, PYCR1 ALDH1A1 30/4885MAPT 4628/4885KDM4E 1922/4885

“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.