SCHEMBL918405

SCHEMBL918405

N#COc1ccc(C2(c3ccc(OC#N)cc3)C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.36
ALOX5AP P20292 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL937679 0.81 HSD11B1 (0.33) HSD11B1
SCHEMBL28065687 0.77 LMNA (0.52) MEN1ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL22966325 0.77 MEN1 (0.37) MEN1ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL8766773 0.77 HSD11B1 (0.56) HSD11B1
SCHEMBL17042804 0.75 PGR (0.55) MEN1ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL2708160 0.72 ALDH1A1 (0.48) HSD11B1MEN1ALDH1A1LMNAKMT2A
SCHEMBL24617942 0.72 CA12 (0.41) HSD11B1ALOX5APMEN1ALDH1A1LMNA
SCHEMBL25611079 0.71 HSD11B1 (0.51) HSD11B1LMNAKMT2A
SCHEMBL10112892 0.70 TLR8 (0.47) HSD11B1ALDH1A1L3MBTL1
SCHEMBL6895204 0.70 HSD11B1 (0.50) HSD11B1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8198381-B2 Phenol aralkyl epoxy resin with secondary hydroxyl groups NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-06-12 US disclosed
US-20110009559-A1 AROMATIC DICYANATE COMPOUNDS WITH HIGH ALIPHATIC CARBON CONTENT DOW GLOBAL TECHNOLOGIES INC. (US) 2011-01-13 US disclosed
US-20110009562-A1 AROMATIC POLYCYANATE COMPOUNDS AND PROCESS FOR THE PRODUCTION THEREOF 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
US-20090117388-A1 Epoxy Resin, Curable Resin Composition and Cured Product Thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-05-07 US disclosed
US-20080200636-A1 Epoxy Resin, Hardenable Resin Composition Containing the Same and Use Thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-08-21 US disclosed
EP-1852451-A1 EPOXY RESIN, HARDENABLE RESIN COMPOSITION CONTAINING THE SAME AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2007-11-07 EP 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 HSD11B1 1469/4885ALOX5AP 1304/4885MEN1 2572/4885
US-20110009559-A1 AROMATIC DICYANATE COMPOUNDS WITH HIGH ALIPHATIC CARBON CONTENT CCDC6, WDR48, MCCC2 HSD11B1 2213/4885ALOX5AP 2457/4885MEN1 3554/4885
US-20150166727-A1 AROMATIC DICYANATE COMPOUNDS WITH HIGH ALIPHATIC CARBON CONTENT CCDC6, WDR48, MCCC2 HSD11B1 2213/4885ALOX5AP 2457/4885MEN1 3554/4885

“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.