SCHEMBL4828295

SCHEMBL4828295

Cc1cc(N)ccc1NCCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
APEX1 P27695 1/20 0.48
RAD52 P43351 1/20 0.46
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
NSD2 O96028 1/20 0.45
BLM P54132 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44

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
SCHEMBL4826787 1.00 MAPT (0.51) MAPTCYP1A2CYP2C9CYP2C19APEX1
SCHEMBL6256983 0.91 CYP1A2 (0.49) MAPTCYP1A2CYP2C9CYP2C19APEX1
SCHEMBL4825292 0.88 NQO2 (0.51) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL9404784 0.87 ALDH1A1 (0.45) MAPTCYP1A2CYP2C9CYP2C19APEX1
SCHEMBL4827101 0.84 MAPT (0.47) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL4824607 0.82 MAPT (0.45) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL5930664 0.80 MAPT (0.42) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL29392615 0.80 CYP2C19 (0.45) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL33660 0.80 CYP2C19 (0.45) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL11330558 0.79 MAPT (0.47) MAPTCYP1A2CYP2C9CYP2C19RAD52

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
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-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-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 MAPT 1947/4885CYP1A2 1398/4885CYP2C9 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.