SCHEMBL4563111

SCHEMBL4563111

C=CCOc1cc2cc3ccccc3cc2cc1OCC=C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 1/20 0.46
CA12 O43570 5/20 0.45
CA1 P00915 5/20 0.45
CA9 Q16790 5/20 0.45
LIG1 P18858 1/20 0.44
PTPRC P08575 1/20 0.41
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HBB P68871 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL3822490 0.96 HPGD (0.49) HPGDTSHRHSD17B10MAPK1CA12
SCHEMBL17747107 0.85 HPGD (0.44) HPGDTSHRHSD17B10MAPK1CA12
SCHEMBL20537236 0.83 HPGD (0.47) HPGDTSHRHSD17B10MAPK1CA12
SCHEMBL20554924 0.83 HPGD (0.43) HPGDTSHRHSD17B10MAPK1CA12
SCHEMBL28406921 0.82 CA12 (0.55) HPGDMAPK1CA12CA1CA9
SCHEMBL17747138 0.80 CASP1 (0.53) HPGDTSHRHSD17B10MAPK1CA12
Anthracene SCHEMBL28197514 0.79 CYP3A4 (0.41) HPGDTSHRHSD17B10MAPK1CA12
1,2-Diallyloxybenzene SCHEMBL29768784 0.78 HPGD (0.60) HPGDTSHRHSD17B10MAPK1CA12
1,2-Diallyloxybenzene SCHEMBL366516 0.78 HPGD (0.60) HPGDTSHRHSD17B10MAPK1CA12
SCHEMBL5413465 0.78 HPGD (0.49) HPGDTSHRHSD17B10MAPK1CA12

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560587-B2 Bis[urea-urethane] compounds XEROX CORPORATION (US) 2009-07-14 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-7371858-B2 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION (US) 2008-05-13 US disclosed
US-7317122-B2 Curable trans-1,2-cyclohexane bis(urea-urethane) compounds XEROX CORPORATION (US) 2008-01-08 US disclosed
US-7314949-B2 1,2-bis(6-(ethylhexyloxycarbonylamino)hexylaminocarbonylamino)cyclohexane; gelling agents for hot melt and phase change inks XEROX CORPORATION (US) 2008-01-01 US disclosed
US-7220300-B2 Phase change inks containing bis(urea-urethane) compounds XEROX CORPORATION (US) 2007-05-22 US disclosed
US-7157601-B2 Alkylated urea and triaminotriazine compounds and phase change inks containing same XEROX CORPORATION (US) 2007-01-02 US disclosed
US-7153349-B2 Phase change inks containing curable trans-1,2-cyclohexane bis(urea-urethane) compounds XEROX CORPORATION (US) 2006-12-26 US disclosed
US-7144450-B2 Phase change inks containing trans-1,2-cyclohexane bis(urea-urethane) compounds XEROX CORPORATION (US) 2006-12-05 US disclosed
US-6860928-B2 Alkylated urea and triaminotriazine compounds and phase change inks containing same XEROX CORPORATION (US) 2005-03-01 US disclosed
US-6835833-B2 Alkylated tetrakis(triaminotriazine) compounds and phase change inks containing same XEROX CORPORATION 2004-12-28 US disclosed
US-20040249210-A1 Alkylated urea and triaminotriazine compounds and phase change inks containing same XEROX CORPORATION 2004-12-09 US disclosed
US-6811595-B2 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION 2004-11-02 US disclosed
US-20040158063-A1 Alkylated tetrakis(triaminotriazine) compounds and phase change inks containing same XEROX CORPORATION 2004-08-12 US disclosed
US-6761758-B2 INK COMPOSITION COMPRISING COLORANT AND PHASE CHANGE INK CARRIER; INK JET PRINTING XEROX CORPORATION 2004-07-13 US disclosed
US-20040075723-A1 Alkylated urea and triaminotriazine compounds and phase change inks containing same XEROX CORPORATION 2004-04-22 US disclosed
US-20040065227-A1 Phase change inks containing gelator additives XEROX CORPORATION 2004-04-08 US disclosed
US-20040060474-A1 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION 2004-04-01 US disclosed
US-20040050295-A1 ALKYLATED TETRAKIS(TRIAMINOTRIAZINE) COMPOUNDS AND PHASE CHANGE INKS CONTAINING SAME XEROX CORPORATION 2004-03-18 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 (6 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-20040060474-A1 Guanidinopyrimidinone compounds and phase change inks containing same CCNI, INO80, CCNY HPGD 3309/4885TSHR 3461/4885HSD17B10 961/4885
US-20040050295-A1 ALKYLATED TETRAKIS(TRIAMINOTRIAZINE) COMPOUNDS AND PHASE CHANGE INKS CONTAINING SAME CCNT1, CCNT2, CCNK HPGD 4441/4885TSHR 1463/4885HSD17B10 4216/4885
US-20080171877-A1 GUANIDINOPYRIMIDINONE COMPOUNDS AND PHASE CHANGE INKS CONTAINING SAME INO80, RPP30, RO60 HPGD 3467/4885TSHR 2131/4885HSD17B10 1142/4885
US-20040158063-A1 Alkylated tetrakis(triaminotriazine) compounds and phase change inks containing same CCNT1, CCNT2, CCNK HPGD 4441/4885TSHR 1463/4885HSD17B10 4216/4885
US-20040249210-A1 Alkylated urea and triaminotriazine compounds and phase change inks containing same NR4A1, NR0B1, RCOR1 HPGD 4736/4885TSHR 524/4885HSD17B10 3089/4885
US-20040075723-A1 Alkylated urea and triaminotriazine compounds and phase change inks containing same NR4A1, NR1I3, CCNY HPGD 4576/4885TSHR 748/4885HSD17B10 2704/4885

“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.