SCHEMBL5894396

SCHEMBL5894396

COc1c(OC)c(N)c2c(ccc[n+]2[O-])c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
EP300 Q09472 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
PDE4A P27815 4/20 0.35
PDE4B Q07343 4/20 0.35
PDE4C Q08493 4/20 0.35
PDE4D Q08499 4/20 0.35
GAA P10253 1/20 0.34
CTSV O60911 1/20 0.33
ERN1 O75460 1/20 0.32
MAPK14 Q16539 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
KDM1A O60341 1/20 0.30
POLB P06746 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
SCHEMBL5894636 0.89 HSP90AA1 (0.44) HSP90AA1MAPTHTTEP300KDM4E
SCHEMBL5894391 0.88 KDM4E (0.39) HSP90AA1MAPTHTTEP300KDM4E
SCHEMBL5894778 0.81 TDP1 (0.32) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL5894141 0.79 PDE4A (0.31) PDE4APDE4BPDE4CPDE4D
SCHEMBL5894333 0.78
SCHEMBL5894781 0.77
SCHEMBL5894776 0.77
SCHEMBL5894415 0.75 HSP90AA1 (0.49) HSP90AA1MAPTHTTKDM4E
SCHEMBL5894723 0.75 PDE4A (0.30) PDE4APDE4BPDE4CPDE4D
SCHEMBL5894471 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 US claimed
US-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 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-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, TUBB6, DNMT1 HSP90AA1 1793/4885MAPT 1322/4885HTT 3950/4885

“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.