SCHEMBL10074609

SCHEMBL10074609

CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1cc(N)cc(C(=O)N(CC(CC)CCCC)CC(CC)CCCC)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
TSHR P16473 7/20 0.39
CYP3A4 P08684 4/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CA2 P00918 4/20 0.37
TDP1 Q9NUW8 2/20 0.36
PRKCA P17252 1/20 0.35
PRKCD Q05655 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.33
CA1 P00915 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCL2L1 Q07817 1/20 0.33

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
SCHEMBL15137877 0.87 ALDH1A1 (0.43) ALDH1A1TSHRCYP3A4LMNAMAPK1
SCHEMBL9753769 0.86 CYP3A4 (0.44) ALDH1A1TSHRCYP3A4LMNAMAPK1
SCHEMBL15138810 0.86 CYP3A4 (0.44) ALDH1A1TSHRCYP3A4LMNAMAPK1
SCHEMBL5145421 0.84 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4LMNAMAPK1
SCHEMBL14947844 0.81 ATM (0.42) ALDH1A1TSHRCYP3A4LMNAMAPK1
SCHEMBL18124416 0.80 ALDH1A1 (0.44) ALDH1A1TSHRCYP3A4LMNAMAPK1
SCHEMBL16613790 0.80 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4LMNAMAPK1
SCHEMBL9306882 0.79 ALDH1A1 (0.48) ALDH1A1CYP3A4LMNAMAPK1HSD17B10
SCHEMBL22342142 0.79 TSHR (0.48) ALDH1A1TSHRCYP3A4LMNAMAPK1
SCHEMBL9679694 0.79 ATM (0.39) ALDH1A1TSHRCYP3A4LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815485-B2 Azo compound, pigment dispersant containing the azo compound, pigment composition, pigment dispersion, and toner CANON KABUSHIKI KAISHA (JP) 2014-08-26 US disclosed
US-8815485-B2 Azo compound, pigment dispersant containing the azo compound, pigment composition, pigment dispersion, and toner CANON KABUSHIKI KAISHA (JP) 2014-08-26 US disclosed
US-20130122413-A1 AZO COMPOUND, PIGMENT DISPERSANT CONTAINING THE AZO COMPOUND, PIGMENT COMPOSITION, PIGMENT DISPERSION, AND TONER CANON KABUSHIKI KAISHA (JP) 2013-05-16 US disclosed
US-20130122413-A1 AZO COMPOUND, PIGMENT DISPERSANT CONTAINING THE AZO COMPOUND, PIGMENT COMPOSITION, PIGMENT DISPERSION, AND TONER CANON KABUSHIKI KAISHA (JP) 2013-05-16 US disclosed
WO-2012026378-A1 AZO COMPOUND, PIGMENT DISPERSANT CONTAINING THE AZO COMPOUND, PIGMENT COMPOSITION, PIGMENT DISPERSION, AND TONER CANON KABUSHIKI KAISHA (JP) 2012-03-01 WO 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-20130122413-A1 AZO COMPOUND, PIGMENT DISPERSANT CONTAINING THE AZO COMPOUND, PIGMENT COMPOSITION, PIGMENT DISPERSION, AND TONER TYR, CRY1, MITF ALDH1A1 1826/4885TSHR 2792/4885CYP3A4 243/4885

“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.