SCHEMBL3990484

SCHEMBL3990484

CC(C)(CN)OCCOCCNc1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.38
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
ABCB11 O95342 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2B P18089 1/20 0.31
OPRD1 P41143 1/20 0.31
SCN5A Q14524 1/20 0.31
NR4A1 P22736 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL6654257 0.82 APP (0.46) APPMAOAMAOBMAPTGAA
SCHEMBL18394757 0.81 APP (0.38) APPMAOAMAOBMAPTGAA
SCHEMBL18394327 0.78 ABCB11 (0.47) APPMAPTGAAABCB11CYP3A4
SCHEMBL4955016 0.76 APP (0.41) APPMAOAMAOBMAPTGAA
SCHEMBL4854821 0.74 KCNH3 (0.49) APPMAPTABCB11CYP3A4ADRA2B
SCHEMBL147856 0.74 APP (0.42) APPMAOAMAOBMAPTGAA
SCHEMBL3989340 0.74 PHLPP2 (0.43) APPMAOAMAPTGAAABCB11
SCHEMBL11792842 0.73 CYP3A4 (0.43) APPMAOAMAPTGAAABCB11
SCHEMBL4848681 0.73 KCNH3 (0.50) APPMAPTGAA
SCHEMBL6650216 0.72 APP (0.43) APPMAOAMAOBMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1568683-B1 Secondary, N-alkylaminated para-phenylenediamines, compositions for dyeing keratinic fibres containing them, processes using this compositions and uses thereof OREAL (FR) 2009-05-27 EP claimed
US-7338536-B2 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof L'OREAL S. A. (FR) 2008-03-04 US claimed
US-20060026772-A1 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof L'OREAL 2006-02-09 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-20060026772-A1 N-alkylamino secondary para-phenylenediamine, composition for dyeing keratin fibers comprising such a para-phenylenediamine, processes using this composition and uses thereof KRT18, CDC73, PRKDC APP 644/4885MAOA 1717/4885MAOB 1710/4885

“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.