Cyanate

Cyanate

SCHEMBL7109909

N#CO.Oc1c(Cl)c(Cl)cc2ccccc12

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2A6 P11509 2/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
TRPM4 Q8TD43 1/20 0.38
GAA P10253 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
CASP6 P55212 1/20 0.38
NQO2 P16083 1/20 0.37
NQO1 P15559 1/20 0.37

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
SCHEMBL554286 0.91 HSD17B10 (0.48) HPGDHSD17B10TSHRCASP1KDM4E
SCHEMBL30499577 0.91 HSD17B10 (0.48) HPGDHSD17B10TSHRCASP1KDM4E
Cyanate SCHEMBL7108623 0.78 CYP2A6 (0.50) HSD17B10TSHRKDM4EMEN1MAPT
SCHEMBL17329228 0.77 CASP6 (0.48) HPGDHSD17B10KDM4EMEN1MAPT
SCHEMBL11293469 0.75 CYP2A6 (0.50) HPGDHSD17B10TSHRKDM4EMEN1
SCHEMBL7108620 0.75 CA1 (0.36) CA1CA2KDM4EMEN1MAPT
SCHEMBL23155051 0.73 POLB (0.45) HPGDHSD17B10KDM4EMEN1MAPT
SCHEMBL29629107 0.72 CYP2A6 (0.56) HSD17B10TSHRALDH1A1CYP2A6TRPM4
SCHEMBL1039782 0.72 CYP2A6 (0.56) HSD17B10TSHRALDH1A1CYP2A6TRPM4
SCHEMBL6110249 0.72 TRPM4 (0.47) HPGDHSD17B10MAPTALDH1A1CYP2A6

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 HPGD 3359/4885HSD17B10 1071/4885TSHR 4633/4885

“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.