SCHEMBL4828296

SCHEMBL4828296

Nc1ccc(NCCCC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
POLB P06746 1/20 0.47
MAPT P10636 2/20 0.44
RAB9A P51151 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CDC25A P30304 1/20 0.42

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
SCHEMBL4826255 0.93 HDAC3 (0.51) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL7151914 0.91 HDAC3 (0.50) ALDH1A1POLBITGB3ITGA2BHDAC3
SCHEMBL1485830 0.89 POLB (0.59) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11508776 0.87 POLB (0.57) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15613904 0.83 LMNA (0.58) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2177141 0.82 ALDH1A1 (0.64) ALDH1A1POLBMAPTHDAC3HDAC1
SCHEMBL12712060 0.82 PRSS1 (0.47) POLBMAPTRAB9ACA1CA2
SCHEMBL23794429 0.81 MAPT (0.57) ALDH1A1POLBMAPTHDAC3HDAC1
SCHEMBL9848273 0.81 ALDH1A1 (0.51) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9848269 0.81 ALDH1A1 (0.51) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A

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-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
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 ALDH1A1 509/4885GRIN2D 4146/4885GRIN3B 4677/4885

“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.