SCHEMBL5041419

SCHEMBL5041419

Nc1cc2oc(N3CCCC3)cc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 6/20 0.33
ALDH1A1 P00352 2/20 0.33
AGTR1 P30556 1/20 0.33
ACE P12821 1/20 0.33
ECE1 P42892 1/20 0.33
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
ALPL P05186 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
SCHEMBL4420736 0.80 EHMT2 (0.35) PRKDCHRH4
SCHEMBL5036373 0.71 POLB (0.35) PRKDCALDH1A1AGTR1ACEECE1
SCHEMBL5039635 0.70 HRH4 (0.36) PRKDCPOLBSMN1; SMN2HRH4
SCHEMBL5036880 0.69 LMNA (0.36) ALDH1A1POLBSMN1; SMN2HRH4ALPL
SCHEMBL5036563 0.69 AOC3 (0.37)
SCHEMBL5036775 0.67 LMNA (0.40) ALDH1A1GAAPOLBSMN1; SMN2HRH4
SCHEMBL5036335 0.67 ELANE (0.38) HRH4
SCHEMBL4429324 0.67 PRKDC (0.34) PRKDCALDH1A1AGTR1ACEECE1
SCHEMBL5040127 0.66 AOC3 (0.34)
SCHEMBL5040130 0.66 NUDT1 (0.35) PRKDCPOLBSMN1; SMN2HRH4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US claimed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 WO 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B PRKDC 452/4885ALDH1A1 492/4885AGTR1 4501/4885

“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.