SCHEMBL1320563

SCHEMBL1320563

C/C(N)=C/C(=O)CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA2 P00918 1/20 0.37
STAT3 P40763 1/20 0.35
KISS1R Q969F8 2/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
OPRK1 P41145 1/20 0.31
EPHX1 P07099 1/20 0.31
CACNA2D1 P54289 2/20 0.30
CACNB3 P54284 1/20 0.30
CACNA1C Q13936 1/20 0.30
CYP2C19 P33261 1/20 0.30
PGR P06401 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
CACNA2D2 Q9NY47 1/20 0.30
SLC7A5 Q01650 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
SCHEMBL1320565 1.00 ALDH1A1 (0.46) ALDH1A1TDP1CA2STAT3KISS1R
SCHEMBL2220485 0.80 ALDH1A1 (0.50) ALDH1A1TDP1CA2STAT3KISS1R
SCHEMBL11511816 0.78 ALDH1A1 (0.48) ALDH1A1TDP1CA2STAT3KISS1R
SCHEMBL11511817 0.78 ALDH1A1 (0.48) ALDH1A1TDP1CA2STAT3KISS1R
SCHEMBL1320949 0.77 CA1 (0.43) ALDH1A1TDP1
SCHEMBL1320950 0.77 CA1 (0.43) ALDH1A1TDP1
SCHEMBL16642030 0.73 TDP1 (0.42) ALDH1A1TDP1CA2STAT3CACNA2D1
SCHEMBL8812729 0.73 ALDH1A1 (0.42) ALDH1A1TDP1CA2STAT3KISS1R
SCHEMBL20384963 0.73 ALDH1A1 (0.42) ALDH1A1TDP1CA2STAT3KISS1R
SCHEMBL11018655 0.73 ALDH1A1 (0.42) ALDH1A1TDP1CA2STAT3KISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058447-B2 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-15 US disclosed
US-8058447-B2 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-15 US disclosed
US-8058447-B2 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-15 US disclosed
EP-1926727-B1 4-CHROMENONYL-1,4-DIHYDROPYRIDINECARBONITRILES AND THE USE THEREOF Bayer Pharma AG (DE) 2011-09-14 EP disclosed
US-7989633-B2 4-Chromenonyl-1,4-dihydropyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-02 US disclosed
US-7989633-B2 4-Chromenonyl-1,4-dihydropyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-02 US disclosed
US-7989633-B2 4-Chromenonyl-1,4-dihydropyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-02 US disclosed
US-20100022484-A1 4-Chromenonyl-1,4-dihydropyridines and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-28 US disclosed
US-20100022484-A1 4-Chromenonyl-1,4-dihydropyridines and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-28 US disclosed
US-20100022484-A1 4-Chromenonyl-1,4-dihydropyridines and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-28 US disclosed
US-20090214675-A1 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof BAYER HEALTHCARE AG (DE) 2009-08-27 US disclosed
US-20090214675-A1 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof BAYER HEALTHCARE AG (DE) 2009-08-27 US disclosed
US-20090214675-A1 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof BAYER HEALTHCARE AG (DE) 2009-08-27 US disclosed
EP-1926727-A1 4-CHROMENONYL-1,4-DIHYDROPYRIDINECARBONITRILES AND THE USE THEREOF Bayer HealthCare AG (DE) 2008-06-04 EP disclosed
EP-1910329-A1 4-CHROMENONYL-1,4-DIHYDROPYRIDINES AND THEIR USE Bayer HealthCare AG (DE) 2008-04-16 EP disclosed
WO-2007025604-A1 4-CHROMENONYL-1,4-DIHYDROPYRIDINES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-03-08 WO disclosed
WO-2007025604-A1 4-CHROMENONYL-1,4-DIHYDROPYRIDINES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-03-08 WO disclosed
WO-2007009670-A1 4-CHROMENONYL-1,4-DIHYDROPYRIDINECARBONITRILES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2007-01-25 WO disclosed
WO-2007009670-A1 4-CHROMENONYL-1,4-DIHYDROPYRIDINECARBONITRILES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2007-01-25 WO disclosed
WO-2005087740-A1 FLUORENONE 1, 4,-DIHYDROPYRIDIN DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-09-22 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-20100022484-A1 4-Chromenonyl-1,4-dihydropyridines and their use RYR1, RYR2, CACNA1S ALDH1A1 542/4885TDP1 536/4885CA2 640/4885
US-20090214675-A1 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof RYR1, TNNI3, RYR2 ALDH1A1 323/4885TDP1 533/4885CA2 1725/4885

“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.