SCHEMBL504349

SCHEMBL504349

Oc1cc(O)c2c(c1)oc1cc(O)cc(O)c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 6/20 0.74
GAA P10253 4/20 0.74
SI P14410 3/20 0.74
MGAM2 Q2M2H8 3/20 0.74
MAOA P21397 6/20 0.59
PIM1 P11309 4/20 0.59
PLK1 P53350 3/20 0.59
PTPN1 P18031 3/20 0.59
FASN P49327 2/20 0.59
NUAK1 O60285 2/20 0.59
IGF1R P08069 2/20 0.59
SRC P12931 2/20 0.59
KDR P35968 2/20 0.59
PKN1 Q16512 2/20 0.59
AURKB Q96GD4 2/20 0.59
ALK Q9UM73 2/20 0.59
MMP1 P03956 1/20 0.59
ALDH1A1 P00352 5/20 0.55
CYP3A4 P08684 5/20 0.55
HPGD P15428 5/20 0.55

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
SCHEMBL30542658 0.85 MGAM (1.00) MGAMGAASIMGAM2MAOA
SCHEMBL9838561 0.85 MGAM (1.00) MGAMGAASIMGAM2MAOA
SCHEMBL3876991 0.82 MGAM (0.53) MGAMGAASIMGAM2MAOA
SCHEMBL536984 0.79 ALDH1A1 (0.72) MGAMGAASIMGAM2MAOA
SCHEMBL631900 0.79 MGAM (0.75) MGAMGAASIMGAM2MAOA
SCHEMBL15950979 0.77 MGAM (0.53) MGAMGAASIMGAM2MAOA
SCHEMBL2418732 0.76 MAOA (1.00) MGAMGAASIMGAM2MAOA
SCHEMBL9838552 0.76 MGAM (0.79) MGAMGAASIMGAM2MAOA
Norlichexanthone SCHEMBL31619305 0.76 PIM1 (1.00) MGAMGAASIMGAM2MAOA
Norlichexanthone SCHEMBL31619312 0.76 PIM1 (1.00) MGAMGAASIMGAM2MAOA

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 22 patents — showing the first 20. 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-9273021-B2 Dibenzofuran derivatives as inhibitors of fructose 1,6-bisphosphatase and methods of use thereof TRUSTEES OF BOSTON COLLEGE (US) 2016-03-01 US disclosed
US-9273021-B2 Dibenzofuran derivatives as inhibitors of fructose 1,6-bisphosphatase and methods of use thereof TRUSTEES OF BOSTON COLLEGE (US) 2016-03-01 US disclosed
US-9273021-B2 Dibenzofuran derivatives as inhibitors of fructose 1,6-bisphosphatase and methods of use thereof TRUSTEES OF BOSTON COLLEGE (US) 2016-03-01 US disclosed
US-20120028892-A1 INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE AND METHODS OF USE THEREOF TRUSTEES OF BOSTON COLLEGE (US) 2012-02-02 US disclosed
US-20120028892-A1 INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE AND METHODS OF USE THEREOF TRUSTEES OF BOSTON COLLEGE (US) 2012-02-02 US disclosed
US-20120028892-A1 INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE AND METHODS OF USE THEREOF TRUSTEES OF BOSTON COLLEGE (US) 2012-02-02 US disclosed
WO-2010091185-A2 INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE AND METHODS OF USE THEREOF TRUSTEES OF BOSTON COLLEGE (US) 2010-08-12 WO disclosed
WO-2010091185-A2 INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE AND METHODS OF USE THEREOF TRUSTEES OF BOSTON COLLEGE (US) 2010-08-12 WO disclosed
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-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 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
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 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 (3 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 MGAM 2266/4885GAA 3637/4885SI 786/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 MGAM 2266/4885GAA 3637/4885SI 786/4885
US-20120028892-A1 INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE AND METHODS OF USE THEREOF FBP1, SLC5A1, ALDOA MGAM 43/4885GAA 60/4885SI 10/4885

“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.