SCHEMBL7108615

SCHEMBL7108615

N#COc1c(Cl)ccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.48
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPRT1 P00492 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
PAX8 Q06710 1/20 0.35
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
APEX1 P27695 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL7011793 0.81 CYP2A6 (0.48) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL1325259 0.79 MAPT (0.41) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL7109900 0.79 CA1 (0.38) CYP2A6CYP1A2ALDH1A1HSD17B10CA1
SCHEMBL10938638 0.78 CYP2A6 (0.58) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL27844346 0.78 HSD17B10 (0.39) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL20281311 0.76 GPR84 (0.44) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL9648939 0.75 CYP2A6 (0.54) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL11854817 0.73 KMT2A (0.38) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL8331897 0.71 CYP2A6 (0.54) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL25385558 0.70 CYP2A6 (0.48) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR

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 CYP2A6 1934/4885CYP1A2 1828/4885ALDH1A1 1536/4885

“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.