SCHEMBL6681432

SCHEMBL6681432

CCCCCCCCOc1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.46
NR5A1 Q13285 1/20 0.46
CNR2 P34972 4/20 0.43
CNR1 P21554 2/20 0.43
RARB P10826 3/20 0.42
ALDH2 P05091 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LTA4H P09960 1/20 0.41
PDK2 Q15119 1/20 0.41

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
SCHEMBL5546811 1.00 PTPN11 (0.46) PTPN11NR5A1CNR2CNR1RARB
SCHEMBL7760968 0.92 PTPN11 (0.44) PTPN11NR5A1CNR2CNR1RARB
SCHEMBL5546824 0.90 CNR2 (0.54) PTPN11CNR2CNR1
SCHEMBL5546820 0.89 CYP3A4 (0.47) PTPN11NR5A1CNR2CNR1RARB
SCHEMBL29351856 0.87 NR5A1 (0.45) PTPN11NR5A1CNR2MEN1NPC1
SCHEMBL379444 0.87 NR5A1 (0.45) PTPN11NR5A1CNR2MEN1NPC1
SCHEMBL39014 0.87 PTPN11 (0.49) PTPN11NR5A1CNR2RARBALDH2
SCHEMBL3675957 0.87 PTPN11 (0.49) PTPN11NR5A1CNR2RARBALDH2
SCHEMBL29364333 0.87 PTPN11 (0.49) PTPN11NR5A1CNR2RARBALDH2
SCHEMBL4413556 0.87 PTPN11 (0.49) PTPN11NR5A1CNR2RARBALDH2

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-20180095374-A1 MIXTURE, TONER, AND DISPERSION CANON KABUSHIKI KAISHA (JP) 2018-04-05 US disclosed
US-20180095374-A1 MIXTURE, TONER, AND DISPERSION CANON KABUSHIKI KAISHA (JP) 2018-04-05 US disclosed
EP-1089984-B1 NON-YELLOWING PARA-TERTIARY-ALKYL PHENYL SUBSTITUTED TRIAZINE AND PYRIMIDINE ULTRAVIOLET LIGHT ABSORBERS CYTEC TECH CORP (US) 2004-10-27 EP disclosed
US-6509399-B2 Radiation resistance; absorber CYTEC TECHNOLOGY CORP 2003-01-21 US disclosed
US-20020013462-A1 Non-yellowing part-tertiary-alkyl phenyl substituted triazine and pyrimidine ultraviolet light absorbers CYTEC INDUSTRIES CORP. 2002-01-31 US disclosed
US-20010031867-A1 Non-yellowing para-tertiary-alkyl phenyl substituted triazineand pyrimidine ultraviolet light absorbers CYTEC INDUSTRIES CORP. 2001-10-18 US disclosed
US-6239276-B1 STABILIZER CYTEC TECHNOLOGY CORPORATION 2001-05-29 US disclosed
EP-1089984-A1 NON-YELLOWING PARA-TERTIARY-ALKYL PHENYL SUBSTITUTED TRIAZINE AND PYRIMIDINE ULTRAVIOLET LIGHT ABSORBERS CYTEC TECHNOLOGY CORP. (US) 2001-04-11 EP disclosed
WO-1999067226-A1 NON-YELLOWING PARA-TERTIARY-ALKYL PHENYL SUBSTITUTED TRIAZINE AND PYRIMIDINE ULTRAVIOLET LIGHT ABSORBERS CYTEC TECHNOLOGY CORP. (US) 1999-12-29 WO 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 (1 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-20010031867-A1 Non-yellowing para-tertiary-alkyl phenyl substituted triazineand pyrimidine ultraviolet light absorbers TERB1, RAD52, ERCC4 PTPN11 333/4885NR5A1 2195/4885CNR2 4529/4885

“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.