SCHEMBL4828358

SCHEMBL4828358

CCOC(=O)CC(C)Nc1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
CYP3A4 P08684 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAOA P21397 1/20 0.46
PPID Q08752 2/20 0.46
PPIB P23284 1/20 0.46
PPIA P62937 1/20 0.46
PPIG Q13427 1/20 0.46
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
TSHR P16473 3/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSP90AA1 P07900 1/20 0.42
THRB P10828 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
SCHEMBL26583577 0.85 RAB9A (0.47) ALDH1A1KDM4ECYP3A4LMNACA12
SCHEMBL4828246 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EHTTCYP3A4CYP1A2
SCHEMBL4828327 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EHTTCYP3A4LMNA
SCHEMBL6257260 0.79 HIF1A (0.44) ALDH1A1KDM4ECYP3A4LMNATSHR
SCHEMBL6214399 0.78 LMNA (0.49) LMNASMN1; SMN2GAAPOLB
SCHEMBL11708373 0.77 SMN1; SMN2 (0.51) ALDH1A1KDM4EHTTLMNACYP1A2
SCHEMBL11725209 0.77 L3MBTL1 (0.43) ALDH1A1HTTTSHRSMN1; SMN2HSD17B10
SCHEMBL17943725 0.77 PDK1 (0.41) HTTLMNASMN1; SMN2GAAMAPT
SCHEMBL4829862 0.77 CA12 (0.48) ALDH1A1KDM4EHTTCYP3A4LMNA
SCHEMBL13728211 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EHTTTSHRSMN1; SMN2

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
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

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 509/4885KDM4E 599/4885HTT 2868/4885

“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.