SCHEMBL918042

SCHEMBL918042

N#COc1ccc(C2(c3ccc(OC#N)cc3)CCCCCCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.48
ESR2 Q92731 4/20 0.48
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PSMB1 P20618 1/20 0.45
PSMB5 P28074 1/20 0.45
PSMB2 P49721 1/20 0.45
ADORA3 P0DMS8 1/20 0.41
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
BACE1 P56817 2/20 0.36
GAA P10253 1/20 0.36
SLC6A4 P31645 5/20 0.34
SLC6A3 Q01959 4/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
ACHE P22303 1/20 0.32

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
SCHEMBL3416033 1.00 ESR1 (0.48) ESR1ESR2ALDH1A1L3MBTL1PSMB1
SCHEMBL918552 1.00 ESR1 (0.48) ESR1ESR2ALDH1A1L3MBTL1PSMB1
SCHEMBL15224663 0.98 ESR1 (0.47) ESR1ESR2ALDH1A1L3MBTL1PSMB1
SCHEMBL11707078 0.92 ESR2 (0.65) ESR1ESR2ALDH1A1L3MBTL1PSMB1
Phenol SCHEMBL8962972 0.87 ESR1 (0.54) ESR1ESR2ALDH1A1L3MBTL1PSMB1
SCHEMBL25873083 0.85 ESR1 (0.37) ESR1ESR2ALDH1A1L3MBTL1PSMB1
SCHEMBL12908790 0.85 ESR1 (0.37) ESR1ESR2ALDH1A1L3MBTL1PSMB1
SCHEMBL9244667 0.78 PNMT (0.34) ALDH1A1
SCHEMBL22966325 0.74 MEN1 (0.37) ALDH1A1L3MBTL1LMNAMAPTBACE1
SCHEMBL10086337 0.74 SLC6A4 (0.58) ESR1ESR2ALDH1A1L3MBTL1PSMB1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265570-B1 AROMATIC DICYANATE COMPOUNDS WITH HIGH ALIPHATIC CARBON CONTENT DOW GLOBAL TECHNOLOGIES LLC (US) 2015-11-25 EP claimed
US-9045394-B2 Aromatic dicyanate compounds with high aliphatic carbon content DOW GLOBAL TECHNOLOGIES LLC (US) 2015-06-02 US claimed
US-20110009559-A1 AROMATIC DICYANATE COMPOUNDS WITH HIGH ALIPHATIC CARBON CONTENT DOW GLOBAL TECHNOLOGIES INC. (US) 2011-01-13 US claimed
EP-2265570-A1 AROMATIC DICYANATE COMPOUNDS WITH HIGH ALIPHATIC CARBON CONTENT Dow Global Technologies Inc. (US) 2010-12-29 EP claimed
WO-2009114465-A1 AROMATIC DICYANATE COMPOUNDS WITH HIGH ALIPHATIC CARBON CONTENT DOW GLOBAL TECHNOLOGIES INC. (US) 2009-09-17 WO claimed
EP-2265570-B1 AROMATIC DICYANATE COMPOUNDS WITH HIGH ALIPHATIC CARBON CONTENT DOW GLOBAL TECHNOLOGIES LLC (US) 2015-11-25 EP disclosed
US-9169352-B2 Aromatic dicyanate compounds with high aliphatic carbon content BLUE CUBE IP LLC (US) 2015-10-27 US disclosed
US-20150166727-A1 AROMATIC DICYANATE COMPOUNDS WITH HIGH ALIPHATIC CARBON CONTENT BLUE CUBE IP LLC 2015-06-18 US disclosed
US-9045394-B2 Aromatic dicyanate compounds with high aliphatic carbon content DOW GLOBAL TECHNOLOGIES LLC (US) 2015-06-02 US disclosed
US-8729181-B2 Aromatic polycyanate compounds and process for the production thereof DOW GLOBAL TECHNOLOGIES LLC (US) 2014-05-20 US disclosed
US-20110009562-A1 AROMATIC POLYCYANATE COMPOUNDS AND PROCESS FOR THE PRODUCTION THEREOF DOW GLOBAL TECHNOLOGIES INC. (US) 2011-01-13 US disclosed
US-20110009559-A1 AROMATIC DICYANATE COMPOUNDS WITH HIGH ALIPHATIC CARBON CONTENT DOW GLOBAL TECHNOLOGIES INC. (US) 2011-01-13 US disclosed
EP-2265570-A1 AROMATIC DICYANATE COMPOUNDS WITH HIGH ALIPHATIC CARBON CONTENT Dow Global Technologies Inc. (US) 2010-12-29 EP disclosed
EP-2254928-A1 AROMATIC POLYCYANATE COMPOUNDS AND PROCESS FOR THE PRODUCTION THEREOF Dow Global Technologies Inc. (US) 2010-12-01 EP disclosed
WO-2009114465-A1 AROMATIC DICYANATE COMPOUNDS WITH HIGH ALIPHATIC CARBON CONTENT DOW GLOBAL TECHNOLOGIES INC. (US) 2009-09-17 WO disclosed
WO-2009114469-A1 AROMATIC POLYCYANATE COMPOUNDS AND PROCESS FOR THE PRODUCTION THEREOF DOW GLOBAL TECHNOLOGIES INC. (US) 2009-09-17 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 (3 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-20110009562-A1 AROMATIC POLYCYANATE COMPOUNDS AND PROCESS FOR THE PRODUCTION THEREOF PAH, TYR, ARNT ESR1 4336/4885ESR2 4313/4885ALDH1A1 3631/4885
US-20110009559-A1 AROMATIC DICYANATE COMPOUNDS WITH HIGH ALIPHATIC CARBON CONTENT CCDC6, WDR48, MCCC2 ESR1 1157/4885ESR2 1655/4885ALDH1A1 2592/4885
US-20150166727-A1 AROMATIC DICYANATE COMPOUNDS WITH HIGH ALIPHATIC CARBON CONTENT CCDC6, WDR48, MCCC2 ESR1 1157/4885ESR2 1655/4885ALDH1A1 2592/4885

“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.