SCHEMBL7120841

SCHEMBL7120841

CC(OCCO)OC(C)N1CCc2cc(N)ccc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.35
NOTUM Q6P988 1/20 0.32
NR1H2 P55055 1/20 0.32
SLC6A2 P23975 3/20 0.30
SLC6A4 P31645 3/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6285798 0.98 ATAD2 (0.34) ATAD2NOTUMNR1H2
SCHEMBL6290427 0.90 ATAD2 (0.38) ATAD2NOTUMNR1H2SLC6A2SLC6A4
SCHEMBL6287357 0.80
SCHEMBL24077067 0.73 NOTUM (0.47) ATAD2NOTUMNR1H2PDK1PDK2
SCHEMBL30727816 0.71 ATAD2 (0.47) ATAD2NOTUMNR1H2SLC6A2SLC6A4
SCHEMBL7120839 0.71 ATAD2 (0.37) ATAD2NR1H2PDK1PDK2PDK3
SCHEMBL28765957 0.70 ATAD2 (0.42) ATAD2NOTUMNR1H2PDK1PDK2
SCHEMBL7460173 0.70 ATAD2 (0.32) ATAD2
SCHEMBL28765958 0.67 ATAD2 (0.42) ATAD2NOTUMNR1H2PDK1PDK2
SCHEMBL6290425 0.67 KDM4E (0.39) ATAD2PDK1PDK2PDK3PDK4

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 3497/4885NOTUM 462/4885NR1H2 2261/4885

“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.