SCHEMBL459569

SCHEMBL459569

Cc1cc(CN=C=O)c(C)cc1CN=C=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 2/20 0.34
TRPA1 O75762 1/20 0.33
CYP3A4 P08684 1/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP7 P55210 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL429835 0.93 PGK1 (0.40) NPSR1TRPA1CYP3A4PGK1PGK2
SCHEMBL21623883 0.90 TRPA1 (0.33) NPSR1ALDH1A1TRPA1CYP3A4GABRA1
SCHEMBL31066773 0.83 PGK1 (0.31) PGK1PGK2
SCHEMBL8723814 0.82 PGK1 (0.33) NPSR1PGK1PGK2
SCHEMBL28725527 0.81 PYCR1 (0.46) ALDH1A1
SCHEMBL14916725 0.81 TAAR1 (0.47) ALDH1A1TRPA1CYP3A4
SCHEMBL11159589 0.79 MIF (0.34) TRPA1CYP3A4
SCHEMBL460468 0.79 CYP3A4 (0.35) TRPA1CYP3A4
SCHEMBL29387408 0.79 CYP3A4 (0.35) TRPA1CYP3A4
SCHEMBL891224 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731688-A1 METHOD FOR THE PRODUCTION OF A HYDROXYL-GROUP TERMINATED OXAZOLIDINONE COMPOSITION Covestro Deutschland AG (DE) 2026-04-29 EP disclosed
US-20260071091-A1 SELF-HEALING TRANSPARENT COATING COMPOSITION USING SUNLIGHT AND APPLICATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2026-03-12 US disclosed
US-12559586-B2 Compositions containing uretdione groups crosslinking at low temperatures COVESTRO DEUTSCHLAND AG (DE) 2026-02-24 US disclosed
EP-4688893-A1 EPOXY-GROUP TERMINATED AND ISOCYANURATE-GROUP CONTAINING POLYOXAZOLIDINONES AND THEIR USE IN COATING COMPOSITIONS Covestro Deutschland AG (DE) 2026-02-11 EP disclosed
WO-2025224257-A1 SINGLE-COMPONENT COATING MATERIAL FOR FOOD CONTAINERS COVESTRO DEUTSCHLAND AG (DE) 2025-10-30 WO disclosed
WO-2025224211-A1 SINGLE-COMPONENT SYSTEM FOR COATINGS COVESTRO DEUTSCHLAND AG (DE) 2025-10-30 WO disclosed
EP-4640731-A1 ONE-COMPONENT COATING COMPOSITION FOR FOOD CONTAINERS Covestro Deutschland AG (DE) 2025-10-29 EP disclosed
EP-4640732-A1 ONE-COMPONENT SYSTEM FOR COATINGS Covestro Deutschland AG (DE) 2025-10-29 EP disclosed
EP-4357382-B1 IONICALLY MODIFIED POLYISOCYANATE MIXTURE COVESTRO DEUTSCHLAND AG (DE) 2025-07-23 EP disclosed
WO-2025132729-A1 POLYISOCYANATE MIXTURE COVESTRO DEUTSCHLAND AG (DE) 2025-06-26 WO disclosed
US-20190225738-A1 POLYURETHANE DISPERSIONS OF LOW HARDNESS COVESTRO DEUTSCHLAND AG (DE) 2019-07-25 US disclosed
WO-2017162811-A1 CURABLE COMPOSITIONS BASED ON ALKOXYSILANE GROUPS-CONTAINING PREPOLYMERS COVESTRO DEUTSCHLAND AG (DE) 2017-09-28 WO disclosed
US-9458318-B2 Polyisocyanate mixtures COVESTRO DEUTSCHLAND AG (DE) 2016-10-04 US disclosed
EP-2596042-B1 POLYISOCYANATE MIXTURES BAYER IP GMBH (DE) 2015-05-13 EP disclosed
EP-2596041-B1 POLYURETHANE HAVING HIGH LIGHT REFRACTION BAYER IP GMBH (DE) 2014-08-20 EP disclosed
EP-2596040-B1 POLYURETHANE HAVING LOW VOLUME SHRINKAGE BAYER IP GMBH (DE) 2014-06-11 EP disclosed
US-20130158145-A1 POLYURETHANE HAVING HIGH LIGHT REFRACTION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
US-20130158146-A1 POLYISOCYANATE MIXTURES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
EP-2596041-A1 POLYURETHANE HAVING HIGH LIGHT REFRACTION Bayer Intellectual Property GmbH (DE) 2013-05-29 EP disclosed
WO-2012010526-A1 POLYURETHANE HAVING HIGH LIGHT REFRACTION BAYER MATERIALSCIENCE AG (DE) 2012-01-26 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-12559586-B2 Compositions containing uretdione groups crosslinking at low temperatures URB2, UQCRB, UQCRC2 NPSR1 2801/4885ALDH1A1 1357/4885TRPA1 4523/4885
US-20260071091-A1 SELF-HEALING TRANSPARENT COATING COMPOSITION USING SUNLIGHT AND APPLICATION THEREOF PCNA, CUTA, COL1A1 NPSR1 4641/4885ALDH1A1 48/4885TRPA1 326/4885

“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.