SCHEMBL4250155

SCHEMBL4250155

CCCCCCOc1cc2cc3ccccc3cc2cc1OCCCCCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.60
PPARG P37231 2/20 0.51
PPARA Q07869 2/20 0.51
MCHR1 Q99705 2/20 0.49
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
MAPT P10636 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
TSHR P16473 1/20 0.49
LTA4H P09960 1/20 0.49
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47

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
SCHEMBL2477207 1.00 TLR8 (0.60) TLR8PPARGPPARAMCHR1MEN1
SCHEMBL1237415 1.00 TLR8 (0.60) TLR8PPARGPPARAMCHR1MEN1
SCHEMBL6473617 1.00 TLR8 (0.60) TLR8PPARGPPARAMCHR1MEN1
SCHEMBL30844101 1.00 TLR8 (0.60) TLR8PPARGPPARAMCHR1MEN1
SCHEMBL346563 0.96 TLR8 (0.64) TLR8PPARGPPARAMCHR1MEN1
SCHEMBL31290761 0.94 TLR8 (0.63) TLR8PPARGPPARAMCHR1MEN1
SCHEMBL347826 0.92 TLR8 (0.58) TLR8PPARGPPARAMCHR1MAPT
SCHEMBL20678487 0.90 TLR8 (0.51) TLR8MCHR1MEN1NR1I2LMNA
SCHEMBL27768841 0.88 TLR8 (0.62) TLR8PPARGPPARAMCHR1MAPT
SCHEMBL29080839 0.85 KCNA3 (0.51) TLR8MCHR1MEN1NR1I2LMNA

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 TLR8 2733/4885PPARG 2828/4885PPARA 4287/4885
US-20040050295-A1 ALKYLATED TETRAKIS(TRIAMINOTRIAZINE) COMPOUNDS AND PHASE CHANGE INKS CONTAINING SAME CCNT1, CCNT2, CCNK TLR8 3631/4885PPARG 4285/4885PPARA 4622/4885
US-20080171877-A1 GUANIDINOPYRIMIDINONE COMPOUNDS AND PHASE CHANGE INKS CONTAINING SAME INO80, RPP30, RO60 TLR8 3366/4885PPARG 2057/4885PPARA 3729/4885
US-20040158063-A1 Alkylated tetrakis(triaminotriazine) compounds and phase change inks containing same CCNT1, CCNT2, CCNK TLR8 3631/4885PPARG 4285/4885PPARA 4622/4885
US-20040249210-A1 Alkylated urea and triaminotriazine compounds and phase change inks containing same NR4A1, NR0B1, RCOR1 TLR8 1520/4885PPARG 3107/4885PPARA 3541/4885
US-20040075723-A1 Alkylated urea and triaminotriazine compounds and phase change inks containing same NR4A1, NR1I3, CCNY TLR8 1167/4885PPARG 3909/4885PPARA 4232/4885

“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.