SCHEMBL13645995

SCHEMBL13645995

CN(CCN(C)c1ccc(C=O)cc1)c1ccc(C=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.64
CYP2A13 Q16696 1/20 0.64
ALDH1A1 P00352 6/20 0.59
ALDH1A3 P47895 5/20 0.59
ALDH3A1 P30838 3/20 0.59
TYR P14679 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3689253 0.94 CYP2A6 (0.57) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL13645975 0.91 CYP2A6 (0.59) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL6384525 0.90 ALDH1A1 (0.55) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL10892510 0.90 CYP2A6 (0.57) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL12201383 0.90 ALDH1A1 (0.59) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL3302551 0.88 CYP2A6 (0.55) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL11315114 0.88 CYP2A6 (0.55) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL21124408 0.88 CYP2A6 (0.55) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL20861927 0.88 CYP2A6 (0.55) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1
SCHEMBL62025 0.88 CYP2A6 (0.55) CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014154957-A1 DYEING METHOD USING A HAIR-DYEING PRECURSOR OBTAINED FROM IRIDOIDS, COMPOSITION, PRECURSOR AND DEVICE INCLUDING SAME L'OREAL (FR) 2014-10-02 WO disclosed
US-8784775-B2 Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors PIRAMAL IMAGING SA (CH) 2014-07-22 US disclosed
WO-2013045704-A2 DYE COMPOSITION COMPRISING A GLYCOSYL IRIDOID COMPOUND AND A PARTICULAR ALDEHYDE OR IMINE, DYEING PROCESS AND DEVICES THEREFOR L'OREAL (FR) 2013-04-04 WO disclosed
WO-2013045703-A1 DYE COMPOSITION COMPRISING A NON-GLYCOSYL IRIDOID COMPOUND AND A PARTICULAR ALDEHYDE OR IMINE, DYEING PROCESS AND DEVICE THEREFOR L'OREAL (FR) 2013-04-04 WO disclosed
US-7601180-B2 Use for the dyeing with lightening effect of keratin substances of a composition comprising a fluorescent cyanine dye L'OREAL S.A. (FR) 2009-10-13 US disclosed
US-7601180-B2 Use for the dyeing with lightening effect of keratin substances of a composition comprising a fluorescent cyanine dye L'OREAL S.A. (FR) 2009-10-13 US disclosed
US-20090049621-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE L'OREAL S.A. (FR) 2009-02-26 US disclosed
US-20090049621-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE L'OREAL S.A. (FR) 2009-02-26 US 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-20090049621-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE KRT18, S100A4, S100P CYP2A6 2422/4885CYP2A13 3868/4885ALDH1A1 1895/4885

“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.