SCHEMBL3874869

SCHEMBL3874869

Oc1ccc2c(oc3c(O)c(O)ccc32)c1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 3/20 0.74
ATP1B1 P05026 3/20 0.74
ATP1A3 P13637 3/20 0.74
ATP1B2 P14415 3/20 0.74
ATP1A2 P50993 3/20 0.74
ATP1B3 P54709 3/20 0.74
FXYD2 P54710 3/20 0.74
ATP1A4 Q13733 3/20 0.74
NUDT1 P36639 1/20 0.74
PKLR P30613 1/20 0.61
GALNT2 Q10471 1/20 0.61
GALNT1 Q10472 1/20 0.61
GALNT3 Q14435 1/20 0.61
GALNT10 Q86SR1 1/20 0.61
GALNT13 Q8IUC8 1/20 0.61
GALNT6 Q8NCL4 1/20 0.61
GALNT14 Q96FL9 1/20 0.61
MET P08581 1/20 0.59
MCL1 Q07820 4/20 0.53
KDM4E B2RXH2 4/20 0.53

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
SCHEMBL1444851 0.85 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL30451609 0.85 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL3881176 0.80 PTGS2 (0.74) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7984298 0.79 ESR2 (0.75) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7987277 0.77 ESR2 (0.70) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7980209 0.77 PKLR (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL29370098 0.77 PKLR (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7227954 0.76 ATP1A1 (0.79) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL151934 0.76 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7238197 0.76 ATP1A1 (0.72) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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 (2 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 ATP1A1 2526/4885ATP1B1 1496/4885ATP1A3 2486/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 ATP1A1 2526/4885ATP1B1 1496/4885ATP1A3 2486/4885

“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.