SCHEMBL643606

SCHEMBL643606

COC(=O)c1cc(C)c(OC(C)=O)c(COC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
POLB P06746 2/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
SLC7A5 Q01650 1/20 0.36
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 4/20 0.35
HPGD P15428 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 3/20 0.34
NFKB1 P19838 1/20 0.34
XDH P47989 1/20 0.34

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
SCHEMBL643705 0.83 POLB (0.44) PPARAPPARGPOLBCA12CA1
SCHEMBL642802 0.82 CA12 (0.47) PPARAPPARGPOLBCA12CA1
SCHEMBL641567 0.80 POLB (0.54) PPARAPPARGPOLBCA12CA1
SCHEMBL642836 0.78 POLB (0.43) PPARAPPARGPOLBCA12CA1
SCHEMBL10091826 0.78 PPARA (0.42) PPARAPPARGPOLBLMNAHPGD
SCHEMBL21711828 0.75 CA12 (0.42) PPARAPPARGPOLBCA12CA1
SCHEMBL641854 0.74 CA12 (0.43) PPARAPPARGPOLBCA12CA1
SCHEMBL21711899 0.70 PPARA (0.44) PPARAPPARGPOLBCA12CA1
SCHEMBL11065495 0.69 PPARA (0.49) PPARAPPARGPOLBCA12CA1
SCHEMBL1739400 0.68 CA1 (0.54) PPARAPOLBCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074101-B1 STABLE ACRIDINIUM ESTERS WITH FAST LIGHT EMISSION SIEMENS HEALTHCARE DIAGNOSTICS (US) 2012-08-08 EP disclosed
US-8119422-B2 Stable acridinium esters with fast light emission SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2012-02-21 US disclosed
US-20100099077-A1 STABLE ACRIDINIUM ESTERS WITH FAST LIGHT EMISSION SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2010-04-22 US disclosed
EP-2074101-A2 STABLE ACRIDINIUM ESTERS WITH FAST LIGHT EMISSION Siemens Healthcare Diagnostics Inc. (US) 2009-07-01 EP disclosed
WO-2008067055-A2 STABLE ACRIDINIUM ESTERS WITH FAST LIGHT EMISSION SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2008-06-05 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 (1 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-20100099077-A1 STABLE ACRIDINIUM ESTERS WITH FAST LIGHT EMISSION ACR, NAALAD2, CES2 PPARA 2978/4885PPARG 2873/4885POLB 1001/4885

“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.