SCHEMBL4953753

SCHEMBL4953753

CCC(COC)Nc1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 2/20 0.39
HSP90AA1 P07900 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR4A1 P22736 1/20 0.39
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
TAS1R2 Q8TE23 1/20 0.36
FYN P06241 1/20 0.35
NAMPT P43490 1/20 0.34
MAPK1 P28482 2/20 0.34

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
Hydrochloric Acid SCHEMBL4949145 0.98 TDP1 (0.38) TDP1ALDH1A1TSHRL3MBTL1TP53
SCHEMBL21799857 0.85 ALDH1A1 (0.48) TDP1ALDH1A1TSHRL3MBTL1TP53
SCHEMBL632881 0.81 MAPT (0.47) TDP1ALDH1A1TSHRL3MBTL1TP53
SCHEMBL9297193 0.79 TAS1R3 (0.41) TDP1ALDH1A1TSHRCYP3A4THRB
SCHEMBL4951647 0.78 ALDH1A1 (0.47) TDP1ALDH1A1TSHRL3MBTL1TP53
SCHEMBL21799960 0.78 ALDH1A1 (0.42) TDP1ALDH1A1TSHRL3MBTL1TP53
SCHEMBL6671578 0.78 FYN (0.52) TDP1ALDH1A1TSHRL3MBTL1TP53
SCHEMBL459453 0.78 FYN (0.52) TDP1ALDH1A1TSHRL3MBTL1TP53
SCHEMBL11271222 0.78 ALDH1A1 (0.42) TDP1ALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL6366310 0.77 MAPT (0.51) ALDH1A1L3MBTL1SMN1; SMN2HSD17B10MAPT

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
EP-1568684-A1 para-phenylenediamines carrying an alkoxy group, dye composition, preparation methods and their use L'OREAL (FR) 2005-08-31 EP claimed
US-7435267-B2 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof L'OREAL S.A. (FR) 2008-10-14 US disclosed
US-7435267-B2 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof L'OREAL S.A. (FR) 2008-10-14 US disclosed
US-7435267-B2 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof L'OREAL S.A. (FR) 2008-10-14 US disclosed
US-20060021158-A1 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof L'OREAL S.A. (FR) 2006-02-02 US disclosed
EP-1568684-A1 para-phenylenediamines carrying an alkoxy group, dye composition, preparation methods and their use L'OREAL (FR) 2005-08-31 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-20060021158-A1 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof KRT18, NOTUM, ALDH7A1 TDP1 2219/4885ALDH1A1 236/4885TSHR 4722/4885

“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.