SCHEMBL3100529

SCHEMBL3100529

COc1cc(CN(C)C)cc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TSHR P16473 3/20 0.52
MAPK1 P28482 1/20 0.52
CALM1 P0DP23 2/20 0.50
TACR1 P25103 1/20 0.45
CYP19A1 P11511 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
HTR7 P34969 1/20 0.42
AKR1B1 P15121 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
DHFR P00374 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL15746871 0.95 TSHR (0.47) ALDH1A1TSHRMAPK1CALM1TACR1
SCHEMBL14832470 0.86 CYP19A1 (0.46) ALDH1A1TSHRMAPK1CALM1TACR1
SCHEMBL12675936 0.81 ENPP2 (0.44) ALDH1A1TSHRMAPK1CALM1TACR1
SCHEMBL23507263 0.80 TSHR (0.56) ALDH1A1TSHRMAPK1CALM1TACR1
SCHEMBL29547354 0.79 CALM1 (0.64) ALDH1A1TSHRCALM1HTR7CAMKK2
SCHEMBL850832 0.79 CALM1 (0.64) ALDH1A1TSHRCALM1HTR7CAMKK2
SCHEMBL18705942 0.77 HTR7 (0.37) ALDH1A1TSHRMAPK1CALM1LMNA
SCHEMBL23507393 0.77 GRIN2D (0.51) ALDH1A1TSHRMAPK1CALM1TACR1
SCHEMBL385286 0.76 HRH3 (0.58) ALDH1A1TSHRLMNAMAPTHRH3
SCHEMBL2528801 0.76 ALDH1A1 (0.55) ALDH1A1TSHRMAPK1LMNAMAPT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001973-B2 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2006-02-21 US claimed
US-20030187178-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2003-10-02 US claimed
US-6613863-B2 Benzyltrialkylammonium carboxylate isocyanate trimerization catalysts DEGUSSA AG (DE) 2003-09-02 US claimed
US-20020120089-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2002-08-29 US claimed
EP-2693444-A1 CONDUCTIVE COMPOSITION, CONDUCTIVE FILM USING CONDUCIVE COMPOSITION, AND METHOD FOR MANUFACTURING CONDUCTIVE FILM FUJIFILM Corporation (JP) 2014-02-05 EP disclosed
US-20140005396-A1 N-HETEROCYCLIC CARBENE METALLACYCLE CATALYSTS AND METHODS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-01-02 US disclosed
US-8492552-B2 N-heterocyclic carbene metallacycle catalysts and methods AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-07-23 US disclosed
US-20100197920-A1 N-HETEROCYCLIC CARBENE METALLACYCLE CATALYSTS AND METHODS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-08-05 US disclosed
US-7001973-B2 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2006-02-21 US disclosed
EP-1229016-B1 Catalyst and process for the preparation of isocyanate groups containing polyisocyanates with low viscosity and reduced colour DEGUSSA (DE) 2006-01-11 EP disclosed
EP-1085030-B1 Catalyst and process for preparing polyisocyanates having isocyanurate groups and low colouring DEGUSSA (DE) 2005-05-18 EP disclosed
US-6800714-B2 TRIMERIZING A DIISOCYANATE IN THE PRESENCE OF QUATERNARY AMMONIUM HYDROXIDES OR ESTERS DEGUSSA AG (DE) 2004-10-05 US disclosed
US-20030187178-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2003-10-02 US disclosed
US-6613863-B2 Benzyltrialkylammonium carboxylate isocyanate trimerization catalysts DEGUSSA AG (DE) 2003-09-02 US disclosed
US-20030158368-A1 Catalyst and process for preparing color-reduced polyisocyanates containing isocyanurate groups DEGUSA AG (DE) 2003-08-21 US disclosed
US-20030153714-A1 Catalyst and process for preparing color-reduced polyisocyanates containing isocyanurate groups DEGUSA AG (DE) 2003-08-14 US disclosed
US-6552154-B1 Trimerizing at least one diisocyanate in presence of such as N-(2-hydroxypropyl)-N,N-dimethyl-N-(3-methoxybenzyl)ammonium 2-ethylhexanoate DEGUSSA AG (DE) 2003-04-22 US disclosed
US-20020120089-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2002-08-29 US disclosed
EP-1229016-A2 Catalyst and process for the preparation of isocyanate groups containing polyisocyanates with low viscosity and reduced colour Degussa AG (DE) 2002-08-07 EP disclosed
EP-1085030-A2 Catalyst and process for preparing polyisocyanates having isocyanurate groups and low colouring Degussa-Hüls Aktiengesellschaft (DE) 2001-03-21 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 (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-20140005396-A1 N-HETEROCYCLIC CARBENE METALLACYCLE CATALYSTS AND METHODS NIM1K, GNE, NBAS ALDH1A1 2892/4885TSHR 4668/4885MAPK1 4634/4885
US-20100197920-A1 N-HETEROCYCLIC CARBENE METALLACYCLE CATALYSTS AND METHODS NIM1K, GNE, NBAS ALDH1A1 2892/4885TSHR 4665/4885MAPK1 4628/4885

“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.