SCHEMBL642640

SCHEMBL642640

C=CCc1cc(C(=O)OC)cc(C)c1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
ELANE P08246 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
PDK2 Q15119 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ATAD2 Q6PL18 1/20 0.32
NOTUM Q6P988 2/20 0.32
ATM Q13315 1/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL9128614 0.92 ELANE (0.37) PPARAPPARGELANEKDM4EALDH1A1
SCHEMBL2882628 0.86 PPARA (0.39) PPARAPPARGKDM4EALDH1A1TSHR
SCHEMBL641838 0.84 PPARA (0.42) PPARAPPARGKDM4EALDH1A1TSHR
SCHEMBL7419392 0.81 ELANE (0.46) ELANEKDM4EALDH1A1CA12CA1
SCHEMBL642836 0.78 POLB (0.43) PPARAPPARGELANEKDM4EALDH1A1
SCHEMBL642611 0.76 KDM4E (0.46) PPARAPPARGKDM4EALDH1A1CA12
SCHEMBL9131385 0.76 PPARA (0.49) PPARAPPARGKDM4EALDH1A1CA12
SCHEMBL3542435 0.75 KDM4E (0.44) KDM4EALDH1A1TSHRCA12CA1
SCHEMBL31111349 0.73 KDM4E (0.42) KDM4EALDH1A1TSHRCA12CA1
SCHEMBL3542506 0.72 KDM4E (0.52) KDM4EALDH1A1CA12CA1CA2

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 2873/4885ELANE 5/4885

“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.