SCHEMBL4825337

SCHEMBL4825337

CCOC(=O)CCCNc1ccc(N)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
TOP2A P11388 1/20 0.47
CYP3A4 P08684 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PDE5A O76074 1/20 0.42
NPC1 O15118 1/20 0.42
ELANE P08246 1/20 0.42
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNQ4 P56696 1/20 0.40
KCNQ5 Q9NR82 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL4826633 0.92 TOP2A (0.45) KDM4EMAPTTOP2ACYP3A4CYP1A2
SCHEMBL4826837 0.89 ALDH1A1 (0.48) KDM4EMAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL21533507 0.84 TOP2A (0.47) KDM4EMAPTTOP2ACYP3A4CYP1A2
SCHEMBL4826976 0.84 ALDH1A1 (0.55) KDM4EMAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL4823915 0.83 TOP2A (0.51) KDM4EMAPTTOP2ACYP3A4CYP1A2
SCHEMBL6260953 0.83 ALDH1A1 (0.46) MAPTCYP3A4ALDH1A1SMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL4824474 0.83 ALDH1A1 (0.54) KDM4EMAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL23673315 0.80 MAPT (0.51) KDM4EMAPTTOP2ACYP3A4CYP1A2
SCHEMBL4826980 0.80 SMN1; SMN2 (0.55) KDM4EMAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL14570539 0.80 TOP2A (0.53) KDM4EMAPTTOP2ACYP3A4CYP1A2

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 KDM4E 599/4885MAPT 1947/4885TOP2A 1177/4885

“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.