SCHEMBL4821084

SCHEMBL4821084

Cc1cc(N)ccc1NC(CCC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KEAP1 Q14145 2/20 0.42
GART P22102 1/20 0.41
RAD52 P43351 1/20 0.41
NAALAD2 Q9Y3Q0 3/20 0.39
FOLH1 Q04609 1/20 0.39
RIMKLA Q8IXN7 1/20 0.39
GGH Q92820 2/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
DHFR P00374 1/20 0.38

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
SCHEMBL5930500 0.87 CYP1A2 (0.42) CYP1A2MAPTCYP2C9CYP2C19KEAP1
SCHEMBL4821678 0.86 MAPT (0.48) CYP1A2MAPTCYP2C9CYP2C19KEAP1
SCHEMBL5930464 0.82 MAPT (0.38) CYP1A2MAPTCYP2C9CYP2C19KEAP1
SCHEMBL28008720 0.80 ITGB3 (0.50) KEAP1NAALAD2FOLH1RIMKLAGGH
SCHEMBL11385642 0.78 CA2 (0.51) GARTNAALAD2FOLH1RIMKLACA2
SCHEMBL11385645 0.78 CA2 (0.51) GARTNAALAD2FOLH1RIMKLACA2
SCHEMBL5930493 0.77 CA12 (0.42) CYP1A2MAPTCYP2C9CYP2C19RAD52
SCHEMBL4829854 0.76 L3MBTL1 (0.51) CYP1A2MAPTCYP2C9CYP2C19RAD52
SCHEMBL4828335 0.76 GGH (0.48) NAALAD2FOLH1RIMKLAGGHCA2
SCHEMBL28535426 0.76 GGH (0.48) NAALAD2FOLH1RIMKLAGGHCA2

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
US-7384432-B2 Secondary para-phenylenediamines having a carboxyl group, dye compositions comprising the same, and dyeing processes using the compositions L'OREAL S.A. (FR) 2008-06-10 US claimed
US-20060021159-A1 Secondary para-phenylenediamines having a carboxyl group, dye compositions comprising the same, and dyeing processes using the compositions L'OREAL S.A. (FR) 2006-02-02 US claimed
EP-1580186-A1 Secondary p-phenylendiamines containing a carboxylic acid group, dye composition containing them, processes and uses L'OREAL (FR) 2005-09-28 EP claimed
US-7384432-B2 Secondary para-phenylenediamines having a carboxyl group, dye compositions comprising the same, and dyeing processes using the compositions L'OREAL S.A. (FR) 2008-06-10 US disclosed
US-20060021159-A1 Secondary para-phenylenediamines having a carboxyl group, dye compositions comprising the same, and dyeing processes using the compositions L'OREAL S.A. (FR) 2006-02-02 US disclosed
EP-1580186-A1 Secondary p-phenylendiamines containing a carboxylic acid group, dye composition containing them, processes and uses L'OREAL (FR) 2005-09-28 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-20060021159-A1 Secondary para-phenylenediamines having a carboxyl group, dye compositions comprising the same, and dyeing processes using the compositions KRT18, CDC73, JUP CYP1A2 1398/4885MAPT 1947/4885CYP2C9 365/4885

“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.