SCHEMBL4955016

SCHEMBL4955016

CC(C)(C)OCCNc1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
MAPT P10636 7/20 0.38
GAA P10253 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NR4A1 P22736 1/20 0.36
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPK1 P28482 2/20 0.32
L3MBTL1 Q9Y468 2/20 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
SCHEMBL18413700 0.83 APP (0.42) APPMAPTGAAMAOAMAOB
SCHEMBL19958976 0.81 HRH3 (0.45) MAPTGAACA1CA2MEN1
SCHEMBL128126 0.79 MAPT (0.47) APPMAPTGAAMAOAMAOB
SCHEMBL14028540 0.78 CYP3A4 (0.41) MAPTALDH1A1CYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL9680720 0.77 KCNH3 (0.49) APPMAPTGAANR4A1ALDH1A1
Hydrochloric Acid SCHEMBL3337783 0.77 KCNH3 (0.49) APPMAPTGAANR4A1ALDH1A1
SCHEMBL6654257 0.76 APP (0.46) APPMAPTGAAMAOAMAOB
SCHEMBL1023793 0.76 APP (0.37) APPMAPTGAAMAOAMAOB
SCHEMBL3990484 0.76 APP (0.38) APPMAPTGAAMAOAMAOB
SCHEMBL147856 0.76 APP (0.42) APPMAPTGAAMAOAMAOB

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
EP-1568684-A1 para-phenylenediamines carrying an alkoxy group, dye composition, preparation methods and their use L'OREAL (FR) 2005-08-31 EP claimed
US-7435267-B2 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof L'OREAL S.A. (FR) 2008-10-14 US disclosed
US-7435267-B2 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof L'OREAL S.A. (FR) 2008-10-14 US disclosed
US-7435267-B2 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof L'OREAL S.A. (FR) 2008-10-14 US disclosed
US-20060021158-A1 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof L'OREAL S.A. (FR) 2006-02-02 US disclosed
EP-1568684-A1 para-phenylenediamines carrying an alkoxy group, dye composition, preparation methods and their use L'OREAL (FR) 2005-08-31 EP 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-20060021158-A1 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof KRT18, NOTUM, ALDH7A1 APP 446/4885MAPT 2001/4885GAA 4529/4885

“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.