SCHEMBL7106894

SCHEMBL7106894

N#COc1c(Br)c(Br)cc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP1B1 Q16678 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
GPR84 Q9NQS5 1/20 0.34
POLB P06746 1/20 0.32
CLK1 P49759 1/20 0.30
DYRK1A Q13627 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
ERN1 O75460 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) ALDH1A1HIF1ACYP1B1HSD17B10CA1
SCHEMBL8009194 0.77 CA2 (0.50) ALDH1A1HIF1ACYP1B1HSD17B10CA2
SCHEMBL1325698 0.75 GPR84 (0.36) ALDH1A1HIF1ACYP1B1HSD17B10CA1
SCHEMBL29518510 0.71 ALDH1A1 (0.50) ALDH1A1HIF1ACYP1B1HSD17B10POLB
SCHEMBL5637840 0.71 ALDH1A1 (0.50) ALDH1A1HIF1ACYP1B1HSD17B10POLB
SCHEMBL7106896 0.70 KDM4E (0.42) ALDH1A1POLB
Cyanate SCHEMBL7106900 0.70 POLB (0.40) ALDH1A1HIF1ACYP1B1HSD17B10CA1
SCHEMBL1325259 0.69 MAPT (0.41) ALDH1A1HIF1ACYP1B1HSD17B10CA1
SCHEMBL27844346 0.68 HSD17B10 (0.39) ALDH1A1HIF1ACYP1B1HSD17B10CA1
SCHEMBL7108615 0.68 CYP2A6 (0.48) ALDH1A1HIF1ACYP1B1HSD17B10CA1

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 ALDH1A1 1536/4885HIF1A 3186/4885CYP1B1 1223/4885

“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.