SCHEMBL6839307

SCHEMBL6839307

[CH2]COC1CCN(c2ccc(N)c(C)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.49
GAA P10253 2/20 0.49
LGMN Q99538 2/20 0.40
ACACB O00763 3/20 0.39
DPP4 P27487 7/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.34
MCHR1 Q99705 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
PTK2B Q14289 1/20 0.33
USP30 Q70CQ3 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
SCHEMBL9715198 0.87 GAA (0.50) RAD52GAALGMNACACBDPP4
SCHEMBL3253263 0.86 RAD52 (0.46) RAD52GAALGMNACACBDPP4
SCHEMBL2127854 0.84 RAD52 (0.44) RAD52GAALGMNACACBDPP4
SCHEMBL5837740 0.83 GAA (0.46) RAD52GAALGMNACACBKDM4E
Hydrochloric Acid SCHEMBL2532139 0.83 RAD52 (0.43) RAD52GAALGMNACACBDPP4
SCHEMBL13943920 0.82 RAD52 (0.42) RAD52GAALGMNACACBDPP4
SCHEMBL5836844 0.82 GAA (0.48) RAD52GAALGMNACACBKDM4E
SCHEMBL5836652 0.82 GAA (0.45) RAD52GAALGMNACACBKDM4E
SCHEMBL6838886 0.81 MAPT (0.40) RAD52GAAACACBKDM4EMAPT
SCHEMBL3639807 0.81 GAA (0.44) RAD52GAALGMNKDM4EHTT

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-20040250356-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a particular pearlescent or opacifying agent, methods and uses L'OREAL (FR) 2004-12-16 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-20040250356-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a particular pearlescent or opacifying agent, methods and uses KRT18, CDC73, PPHLN1 RAD52 457/4885GAA 4764/4885LGMN 2520/4885

“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.