SCHEMBL4828261

SCHEMBL4828261

COc1cc(NCC(=O)O)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
CYP3A4 P08684 2/20 0.46
HDAC1 Q13547 4/20 0.45
HDAC2 Q92769 4/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 4/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9125657 0.85 ALDH1A1 (0.52) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL3661649 0.83 TSHR (0.55) ALDH1A1CYP3A4HDAC1HDAC2TSHR
SCHEMBL3725881 0.81 ALDH1A1 (0.41) ALDH1A1CYP3A4HDAC1HDAC2TSHR
SCHEMBL14839608 0.80 MEN1 (0.50) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9795549 0.79 ALDH1A1 (0.51) ALDH1A1TSHRHSD17B10TDP1CA12
SCHEMBL7025686 0.79 TUBB4A (0.58) ALDH1A1TSHRTDP1CA12CA1
SCHEMBL5177671 0.79 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRHSD17B10TDP1
Sulfuric Acid SCHEMBL28773665 0.78 TSHR (0.50) ALDH1A1CYP3A4HDAC1HDAC2TSHR
SCHEMBL4534380 0.78 ALDH1A1 (0.47) ALDH1A1CYP3A4HDAC1HDAC2TSHR
Hydrochloric Acid SCHEMBL5929397 0.78 ALDH1A1 (0.49) ALDH1A1CYP3A4HDAC1HDAC2TSHR

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 4 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
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 ALDH1A1 509/4885CYP3A4 700/4885HDAC1 1494/4885

“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.