SCHEMBL1665952

SCHEMBL1665952

C[Si](C)(C)C#CC1(Cc2ccccc2)C=CC(=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.33
AR P10275 3/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ESR2 Q92731 1/20 0.32
BACE1 P56817 1/20 0.31

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
SCHEMBL12346156 0.88 GAA (0.34) BACE1
SCHEMBL12346163 0.79
SCHEMBL12346136 0.77 CYP19A1 (0.31) ESR2
SCHEMBL12354133 0.74 MAOA (0.36) NR3C1ARMAOAMAOBESR2
SCHEMBL1666241 0.74 LMNA (0.32) BACE1
SCHEMBL1666243 0.74 LMNA (0.32) BACE1
SCHEMBL12346165 0.72 ELANE (0.39) NR3C1ARMAOAMAOBESR2
SCHEMBL1666244 0.71 MEN1 (0.39) NR3C1ARMAOAMAOBBACE1
SCHEMBL1665923 0.70
SCHEMBL2235232 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000188-B2 Monocyclic cyanoenones and methods of use thereof TRUSTEES OF DARTMOUTH COLLEGE (US) 2015-04-07 US disclosed
US-9000188-B2 Monocyclic cyanoenones and methods of use thereof TRUSTEES OF DARTMOUTH COLLEGE (US) 2015-04-07 US disclosed
US-9000188-B2 Monocyclic cyanoenones and methods of use thereof TRUSTEES OF DARTMOUTH COLLEGE (US) 2015-04-07 US disclosed
EP-2309860-B1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF DARTMOUTH COLLEGE (US) 2014-01-08 EP disclosed
US-20130274480-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-17 US disclosed
US-20130274480-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-17 US disclosed
US-20130274480-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-17 US disclosed
US-8314137-B2 Monocyclic cyanoenones and methods of use thereof TRUSTESS OF DARTMOUTH COLLEGE (US) 2012-11-20 US disclosed
US-8314137-B2 Monocyclic cyanoenones and methods of use thereof TRUSTESS OF DARTMOUTH COLLEGE (US) 2012-11-20 US disclosed
US-20110196007-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-08-11 US disclosed
US-20110196007-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-08-11 US disclosed
EP-2309860-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF Trustees of Dartmouth College (US) 2011-04-20 EP disclosed
WO-2010011782-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2010-01-28 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 (2 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-20110196007-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF HSD17B7, HSD17B12, CYP11B2 NR3C1 116/4885AR 638/4885MAOA 1585/4885
US-20130274480-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF HSD17B7, HSD17B12, CYP11B2 NR3C1 116/4885AR 638/4885MAOA 1585/4885

“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.