SCHEMBL7109900

SCHEMBL7109900

N#COc1c(Cl)c(Cl)cc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CYP2A6 P11509 3/20 0.37
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 3/20 0.34
GPR84 Q9NQS5 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
HIF1A Q16665 1/20 0.32
CYP1B1 Q16678 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CCR1 P32246 1/20 0.32
CCR8 P51685 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
CHEK1 O14757 1/20 0.31
AHR P35869 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CLK1 P49759 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL20281311 0.81 GPR84 (0.44) CA1CA2CYP2A6CYP1A2ALDH1A1
SCHEMBL7108615 0.79 CYP2A6 (0.48) CA1CA2CYP2A6CYP1A2ALDH1A1
SCHEMBL1325698 0.75 GPR84 (0.36) CA1CA2CYP2A6CYP1A2ALDH1A1
Cyanate SCHEMBL7109909 0.74 HPGD (0.40) CA1CA2CYP2A6CYP1A2ALDH1A1
SCHEMBL9279307 0.72 HPGD (0.39) CYP2A6CYP1A2ALDH1A1GPR84L3MBTL1
SCHEMBL7106894 0.72 ALDH1A1 (0.36) CA1CA2ALDH1A1GPR84HIF1A
SCHEMBL398680 0.71 MEN1 (0.42) CYP2A6CYP1A2ALDH1A1GPR84L3MBTL1
SCHEMBL29629107 0.71 CYP2A6 (0.56) CYP2A6CYP1A2ALDH1A1L3MBTL1HIF1A
SCHEMBL1039782 0.71 CYP2A6 (0.56) CYP2A6CYP1A2ALDH1A1L3MBTL1HIF1A
SCHEMBL7109906 0.70 MEN1 (0.42) ALDH1A1HSD17B10KDM4EPOLB

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 8 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
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 CA1 2751/4885CA2 1342/4885CYP2A6 1934/4885

“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.