SCHEMBL1320845

SCHEMBL1320845

CC(=O)CC(=O)OC(C)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
RORC P51449 1/20 0.33
KDM4E B2RXH2 1/20 0.31
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 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
SCHEMBL10988434 0.81 MGAM (0.46) MGAMGAASIMGAM2TDP1
SCHEMBL15671204 0.80 LMNA (0.38) KDM4ETSHRMAPT
SCHEMBL24083140 0.78 MEN1 (0.35) ALDH1A1
SCHEMBL16583615 0.78 MGAM (0.43) MGAMGAASIMGAM2TDP1
SCHEMBL20100481 0.77 FAAH (0.32) RORC
SCHEMBL26399776 0.76 TDP1 (0.36) TDP1ALDH1A1TSHR
SCHEMBL27540008 0.76 MGAM (0.50) MGAMGAASIMGAM2KDM4E
SCHEMBL20456935 0.75 ALDH1A1 (0.44) ALDH1A1MAPT
SCHEMBL9936436 0.75
SCHEMBL8760081 0.75 TSHR (0.50) RORCTDP1ALDH1A1TSHRMAPT

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 10 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
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-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
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

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 MGAM 1623/4885GAA 403/4885SI 1633/4885
US-20090214675-A1 4-Chromenonyl-1,4-dihydropyridinecarbonitriles and the use thereof RYR1, TNNI3, RYR2 MGAM 3178/4885GAA 1674/4885SI 2669/4885

“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.