SCHEMBL7120839

SCHEMBL7120839

CCOC(CN1CCc2cc(N)ccc21)OCCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR2A P28223 7/20 0.36
HTR2C P28335 7/20 0.36
HTR2B P41595 7/20 0.36
S1PR1 P21453 2/20 0.34
CYP3A4 P08684 2/20 0.33
NR1H2 P55055 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP2C8 P10632 1/20 0.32
NPY5R Q15761 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 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
SCHEMBL7462241 0.75 HDAC6 (0.37)
SCHEMBL6285793 0.74 S1PR1 (0.41) ATAD2S1PR1NR1H2
SCHEMBL6290427 0.74 ATAD2 (0.38) ATAD2ALDH1A1MAPTS1PR1NR1H2
SCHEMBL24077203 0.74 HTR2A (0.46) ATAD2ALDH1A1MAPTHTR2AHTR2C
SCHEMBL6290425 0.74 KDM4E (0.39) ATAD2ALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL6285804 0.73 KDM4E (0.38) ATAD2ALDH1A1MAPTL3MBTL1TDP1
SCHEMBL7120843 0.73 KDM4E (0.38) ATAD2ALDH1A1MAPTL3MBTL1TDP1
SCHEMBL18426670 0.72 ATAD2 (0.43) ATAD2ALDH1A1MAPK1MAPTL3MBTL1
SCHEMBL30168583 0.72 ATAD2 (0.55) ATAD2ALDH1A1MAPTL3MBTL1HTR2A
SCHEMBL618018 0.72 ATAD2 (0.55) ATAD2ALDH1A1MAPTL3MBTL1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030028977-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-02-13 US claimed
US-20030028977-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-02-13 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-20030028977-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, NDUFB5, NDUFB4 ATAD2 3497/4885ALDH1A1 139/4885MAPK1 1163/4885

“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.