SCHEMBL5046244

SCHEMBL5046244

COc1c(N)oc2ccoc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.42
MAOB P27338 1/20 0.42
CYP3A4 P08684 7/20 0.40
CYP1A1 P04798 6/20 0.40
CYP1A2 P05177 5/20 0.40
CYP1B1 Q16678 5/20 0.40
HPGD P15428 5/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 5/20 0.39
CYP2D6 P10635 4/20 0.39
CYP2C19 P33261 4/20 0.39
MAPK1 P28482 4/20 0.39
TSHR P16473 3/20 0.39
CYP2A6 P11509 2/20 0.39
PDE4A P27815 2/20 0.39
ALOX15 P16050 1/20 0.39
ACHE P22303 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP2A13 Q16696 1/20 0.39

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
SCHEMBL1984159 0.78 CYP3A4 (0.41) MAOAMAOBCYP3A4CYP1A1CYP1A2
SCHEMBL1689950 0.66 MAOA (0.35) MAOAMAOB
SCHEMBL5037213 0.64 CYP3A4 (0.38) MAOAMAOBCYP3A4CYP1A1CYP1A2
SCHEMBL5046305 0.64 MAOA (0.38) MAOAMAOBCYP3A4CYP1A1CYP1A2
SCHEMBL5041339 0.64 NPC1 (0.35)
SCHEMBL11539828 0.62 KCNA3 (0.60) CYP3A4CYP1A1CYP1A2CYP1B1HPGD
SCHEMBL18948097 0.62 MAOA (0.33) MAOAMAOB
SCHEMBL20278781 0.61 CYP3A4 (0.80) MAOAMAOBCYP3A4CYP1A1CYP1A2
SCHEMBL5154038 0.61
SCHEMBL9825588 0.60 CYP3A4 (0.46) CYP3A4CYP1A1CYP1A2CYP1B1HPGD

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-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP 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 MAOA 627/4885MAOB 1258/4885CYP3A4 564/4885

“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.