SCHEMBL4476235

SCHEMBL4476235

CCOC(=O)CC(=O)CCCCCCCCCCCCC(=O)CC(=O)OCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
MGAM O43451 1/20 0.61
SI P14410 1/20 0.61
MGAM2 Q2M2H8 1/20 0.61
CYP1A2 P05177 1/20 0.48
KMT2A Q03164 3/20 0.47
HAO1 Q9UJM8 1/20 0.45
ALDH1A1 P00352 5/20 0.44
ALOX15 P16050 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TRPA1 O75762 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FAAH O00519 1/20 0.44
DGKA P23743 1/20 0.43
EPHX2 P34913 1/20 0.43
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL6303688 1.00 GAA (0.61) GAAMGAMSIMGAM2CYP1A2
SCHEMBL9958801 0.96 GAA (0.56) GAAMGAMSIMGAM2CYP1A2
SCHEMBL28065008 0.96 GAA (0.56) GAAMGAMSIMGAM2CYP1A2
SCHEMBL472723 0.94 HAO1 (0.55) GAAMGAMSIMGAM2KMT2A
SCHEMBL3777425 0.94 HAO1 (0.55) GAAMGAMSIMGAM2KMT2A
SCHEMBL6138788 0.94 HAO1 (0.55) GAAMGAMSIMGAM2KMT2A
SCHEMBL3442509 0.94 HAO1 (0.55) GAAMGAMSIMGAM2KMT2A
SCHEMBL6138705 0.94 HAO1 (0.55) GAAMGAMSIMGAM2KMT2A
SCHEMBL6138989 0.94 HAO1 (0.55) GAAMGAMSIMGAM2KMT2A
SCHEMBL6138882 0.94 HAO1 (0.55) GAAMGAMSIMGAM2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504502-B2 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION (US) 2009-03-17 US disclosed
US-7504502-B2 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION (US) 2009-03-17 US disclosed
US-20080171877-A1 GUANIDINOPYRIMIDINONE COMPOUNDS AND PHASE CHANGE INKS CONTAINING SAME XEROX CORPORATION (US) 2008-07-17 US disclosed
US-20080171877-A1 GUANIDINOPYRIMIDINONE COMPOUNDS AND PHASE CHANGE INKS CONTAINING SAME XEROX CORPORATION (US) 2008-07-17 US disclosed
US-7371858-B2 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION (US) 2008-05-13 US disclosed
US-7371858-B2 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION (US) 2008-05-13 US disclosed
US-20060149063-A1 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION 2006-07-06 US disclosed
US-6811595-B2 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION 2004-11-02 US disclosed
US-20040060474-A1 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION 2004-04-01 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-20060149063-A1 Guanidinopyrimidinone compounds and phase change inks containing same RPP30, INO80, CDK20 GAA 4434/4885MGAM 4209/4885SI 4673/4885
US-20040060474-A1 Guanidinopyrimidinone compounds and phase change inks containing same CCNI, INO80, CCNY GAA 2597/4885MGAM 4380/4885SI 3539/4885
US-20080171877-A1 GUANIDINOPYRIMIDINONE COMPOUNDS AND PHASE CHANGE INKS CONTAINING SAME INO80, RPP30, RO60 GAA 4408/4885MGAM 3989/4885SI 4688/4885

“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.