SCHEMBL3880918

SCHEMBL3880918

Oc1ccc2c([nH]c3c(O)c(O)ccc32)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.65
PRKACA P17612 3/20 0.65
PRKACG P22612 3/20 0.65
PRKACB P22694 3/20 0.65
AR P10275 1/20 0.41
ATP1A1 P05023 2/20 0.38
ATP1B1 P05026 2/20 0.38
ATP1A3 P13637 2/20 0.38
ATP1B2 P14415 2/20 0.38
ATP1A2 P50993 2/20 0.38
ATP1B3 P54709 2/20 0.38
FXYD2 P54710 2/20 0.38
ATP1A4 Q13733 2/20 0.38
NUDT1 P36639 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA6 P23280 2/20 0.36
PIM1 P11309 1/20 0.36
ADAMTS4 O75173 1/20 0.36

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
SCHEMBL7980308 0.80 SRC (1.00) SRCPRKACAPRKACGPRKACBAR
SCHEMBL1887694 0.80 SRC (0.61) SRCPRKACAPRKACGPRKACBCA1
SCHEMBL30143007 0.80 SRC (0.61) SRCPRKACAPRKACGPRKACBCA1
SCHEMBL3874796 0.74 SRC (0.41) SRCPRKACAPRKACGPRKACBAR
SCHEMBL3877130 0.74 SRC (0.41) SRCPRKACAPRKACGPRKACBAR
Acetone SCHEMBL8600747 0.73 APP (0.55) SRCPRKACAPRKACGPRKACBPIM1
SCHEMBL20356047 0.72 HIF1A (0.54) SRCPRKACAPRKACGPRKACBATP1A1
SCHEMBL16641054 0.69 HIF1A (0.52) SRCPRKACAPRKACGPRKACBATP1A1
SCHEMBL338346 0.67 ALDH1A1 (0.57) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL29373601 0.67 ALDH1A1 (0.57) 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 SRC 2779/4885PRKACA 1460/4885PRKACG 1247/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 SRC 2779/4885PRKACA 1460/4885PRKACG 1247/4885

“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.