Cyanate

Cyanate

SCHEMBL7108623

N#CO.Oc1c(Cl)ccc2ccccc12

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.50
PTPN22 Q9Y2R2 1/20 0.50
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.43
LDHA P00338 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 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
SCHEMBL357845 0.90 CYP2A6 (0.60) CYP2A6PTPN22KDM4EMEN1MAPT
SCHEMBL11779519 0.80 HPRT1 (0.58) CYP2A6PTPN22KDM4EMEN1MAPT
Cyanate SCHEMBL7109909 0.78 HPGD (0.40) CYP2A6PTPN22KDM4EMEN1MAPT
SCHEMBL8331897 0.72 CYP2A6 (0.54) CYP2A6KDM4EMEN1MAPTKMT2A
SCHEMBL3076721 0.72 PTPN22 (0.54) CYP2A6PTPN22KDM4EMEN1MAPT
SCHEMBL11773669 0.72 CYP2A6 (0.43) CYP2A6PTPN22KDM4EMEN1MAPT
Cyanate SCHEMBL8152094 0.72 PTPN22 (0.54) CYP2A6PTPN22KDM4EMEN1MAPT
1-Naphthol SCHEMBL7106901 0.71 CYP1A2 (0.77) CYP2A6PTPN22KDM4EMEN1MAPT
1-Naphthol SCHEMBL28522113 0.71 CYP1A2 (0.77) CYP2A6PTPN22KDM4EMEN1MAPT
Water SCHEMBL10892200 0.70 PTPN22 (0.95) CYP2A6PTPN22KDM4EMEN1MAPT

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-6458993-B1 AROMATIC CYANATE ESTER COMPOUNDS HAVING AT LEAST TWO RINGS LINKED BY AN UNSATURATED GROUP CONTAINING MEMBER CAN BE EMPLOYED IN ADHESIVES, COMPOSITES, LAMINATES AND MOLDINGS VANTICO INC. 2002-10-01 US claimed
US-20020055648-A1 Cyanate esters having flame resistant properties JPMORGAN CHASE BANK, N.A. 2002-05-09 US claimed
EP-1161414-B1 CYANATE ESTERS HAVING FLAME RESISTANT PROPERTIES VANTICO AG (CH) 2003-10-01 EP disclosed
US-6458993-B1 AROMATIC CYANATE ESTER COMPOUNDS HAVING AT LEAST TWO RINGS LINKED BY AN UNSATURATED GROUP CONTAINING MEMBER CAN BE EMPLOYED IN ADHESIVES, COMPOSITES, LAMINATES AND MOLDINGS VANTICO INC. 2002-10-01 US disclosed
US-20020055648-A1 Cyanate esters having flame resistant properties JPMORGAN CHASE BANK, N.A. 2002-05-09 US disclosed
CN-1343199-A Cyanate esters having flame resistant properties VANTICO AG (CH) 2002-04-03 CN disclosed
EP-1161414-A1 CYANATE ESTERS HAVING FLAME RESISTANT PROPERTIES Vantico AG (CH) 2001-12-12 EP disclosed
US-6242638-B1 FIREPROOFING USING CURED MIXTURES VANTICO INC. 2001-06-05 US disclosed
WO-2000055123-A1 CYANATE ESTERS HAVING FLAME RESISTANT PROPERTIES VANTICO AG (CH) 2000-09-21 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-20020055648-A1 Cyanate esters having flame resistant properties PCCA, FABP4, MCCC2 CYP2A6 1934/4885PTPN22 4461/4885KDM4E 130/4885

“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.