SCHEMBL2784477

SCHEMBL2784477

C=CCC=C(CCCN(C)C)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.31
HRH4 Q9H3N8 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH2 P25021 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4A O75164 6/20 0.30
KDM4C Q9H3R0 6/20 0.30
KDM5A P29375 1/20 0.30
KDM7A Q6ZMT4 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1077289 0.81 FAAH (0.42) ALDH1A1CYP1A2TDP1HSD17B10
SCHEMBL1076720 0.81 FAAH (0.42) ALDH1A1CYP1A2TDP1HSD17B10
SCHEMBL28229566 0.80 HRH4 (0.33) PAOXHRH4ALDH1A1CYP1A2HRH2
SCHEMBL30562814 0.77 ALDH1A1 (0.36) PAOXHRH4ALDH1A1CYP1A2HRH2
SCHEMBL24930502 0.72
SCHEMBL49390 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL49388 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL15810215 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3281499 0.71 PAOX (0.33) PAOXHRH4ALDH1A1CYP1A2HRH2
SCHEMBL1616263 0.71 APP (0.32) PAOX

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
EP-2127637-B1 Hair dye and applicator for hair using the same MITSUBISHI PENCIL CO (JP) 2016-09-21 EP disclosed
US-7803198-B2 Hair dye and applicator for hair using the same MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2010-09-28 US disclosed
US-20100043151-A1 HAIR DYE AND APPLICATOR FOR HAIR USING THE SAME MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2010-02-25 US disclosed
EP-2127637-A1 HAIR DYE AND HAIR DYE APPLICATOR WITH THE SAME Mitsubishi Pencil Company, Limited (JP) 2009-12-02 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-20100043151-A1 HAIR DYE AND APPLICATOR FOR HAIR USING THE SAME RAD52, AR, ADH1A PAOX 2173/4885HRH4 226/4885ALDH1A1 73/4885

“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.