SCHEMBL1617099

SCHEMBL1617099

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(OC)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 11/20 0.58
CACNA1F O60840 9/20 0.54
CACNA1D Q01668 9/20 0.54
CACNA1S Q13698 9/20 0.54
ADORA3 P0DMS8 4/20 0.54
MAPT P10636 5/20 0.53
HIF1A Q16665 4/20 0.53
CYP1A2 P05177 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 4/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2C19 P33261 3/20 0.53
MEN1 O00255 3/20 0.53
MAPK1 P28482 2/20 0.53
CYP2D6 P10635 2/20 0.53
TSHR P16473 2/20 0.53
NFKB1 P19838 2/20 0.53
THPO P40225 2/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL9136064 0.85 KDM4E (0.50) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL12716471 0.85 KDM4E (0.50) CACNA1CMAPTKMT2AMEN1CYP2D6
SCHEMBL18191095 0.84 ALDH1A1 (0.43) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL9831174 0.81 CACNA1C (0.71) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL1617472 0.79 CACNA1C (0.77) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL29810716 0.79 CACNA1C (0.77) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL5085498 0.78 ADORA3 (0.86) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL3054611 0.77 CACNA1C (0.76) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL10377686 0.77 MAPT (0.47) MAPTCYP1A2KMT2ACYP3A4CYP2C9
SCHEMBL11691221 0.76 KDM4E (0.56) MAPTCYP1A2KMT2ACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10813831-B2 Medical bathing device BSN MEDICAL GMBH (DE) 2020-10-27 US disclosed
EP-1934561-B1 IMPROVED TIME/TEMPERATURE INDICATORS SUN CHEMICAL CORP (US) 2018-11-07 EP disclosed
US-20180153768-A1 MEDICAL BATHING DEVICE BSN MEDICAL GMBH (DE) 2018-06-07 US disclosed
US-20130230648-A1 KIT OF PARTS FOR CURABLE COATING COMPOSITION AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2013-09-05 US disclosed
EP-1963392-B2 MULTILAYER COATING SYSTEM AKZO NOBEL COATINGS INT BV (NL) 2012-08-01 EP disclosed
US-20120107519-A1 RADIATION CURING OF COATINGS AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2012-05-03 US disclosed
US-7923113-B2 Shorter drying times; clear coats; addition of a basic catalyst; isocyanate-functional compound and thiol-functional compound; useful in repair and refinish of automobiles AKZO NOBEL COATING INTERNATIONAL B.V. (NL) 2011-04-12 US disclosed
US-7709555-B2 coatings comprising polythiols, polyisocyanates and moisture activatable latent base catalysts, used as concrete floor coatings, car repair primers or clear coats AKZO NOBEL COATINGS INTERNATIONAL (NL) 2010-05-04 US disclosed
EP-1963392-B1 MULTILAYER COATING SYSTEM AKZO NOBEL COATINGS INT BV (NL) 2009-08-05 EP disclosed
US-20090142600-A1 MULTILAYER COATING SYSTEM AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2009-06-04 US disclosed
EP-1789464-B1 COATING COMPOSITION BASED ON THIOL-NCO CURING AKZO NOBEL COATINGS INT BV (NL) 2008-11-05 EP disclosed
US-20080269050-A1 Time/Temperature Indicators SUN CHEMICAL CORPORATION (US) 2008-10-30 US disclosed
US-20080194720-A1 Coating Composition Based on Thiol-Nco Curing AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2008-08-14 US disclosed
US-20070202341-A1 Multilayer Coating System AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) 2007-08-30 US disclosed
EP-1285012-B1 PHOTOACTIVATABLE COATING COMPOSITION AKZO NOBEL COATINGS INT BV (NL) 2007-01-10 EP disclosed
US-6867244-B2 Photoactivatable coating composition AKZO NOBEL N.V. (NL) 2005-03-15 US disclosed
US-20030212164-A1 Photoactivatable coating composition AKZO NOBEL N.V. (NL) 2003-11-13 US disclosed
US-6579913-B2 Polyisocyanate and a compound comprising isocyanate reactive groups comprising at least one thiol group; photolatent basic photoinitiator AKZO NOBEL N.V. (NL) 2003-06-17 US disclosed
US-20020032248-A1 Photoactivatable coating composition AKZO NOBEL N.V. (NL) 2002-03-14 US 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-20180153768-A1 MEDICAL BATHING DEVICE NOS1, NOS2, POLR1C CACNA1C 1868/4885CACNA1F 3181/4885CACNA1D 2445/4885
US-10813831-B2 Medical bathing device NOS1, NOS2, POLR1C CACNA1C 1868/4885CACNA1F 3181/4885CACNA1D 2445/4885

“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.