SCHEMBL641838

SCHEMBL641838

COC(=O)c1cc(C)c(O[Si](C)(C)C(C)(C)C)c(CCO)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.42
PPARG P37231 3/20 0.42
NPC1 O15118 1/20 0.41
CYP4A11 Q02928 4/20 0.38
CYP4F2 P78329 3/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 3/20 0.34
TSHR P16473 1/20 0.34
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
NQO2 P16083 1/20 0.33
NOTUM Q6P988 1/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL2882628 0.87 PPARA (0.39) PPARAPPARGNPC1ALDH1A1KDM4E
SCHEMBL642640 0.84 PPARA (0.37) PPARAPPARGALDH1A1KDM4ETSHR
SCHEMBL9131385 0.82 PPARA (0.49) PPARAPPARGALDH1A1KDM4ECA12
SCHEMBL9128614 0.75 ELANE (0.37) PPARAPPARGNPC1ALDH1A1KDM4E
SCHEMBL14160643 0.74 NPC1 (0.49) PPARAPPARGNPC1CYP4A11CYP4F2
SCHEMBL31111349 0.74 KDM4E (0.42) NPC1ALDH1A1KDM4ETSHRCA12
SCHEMBL9127765 0.73 ALDH1A1 (0.41) PPARAPPARGALDH1A1KDM4ECA12
SCHEMBL12296673 0.72 NOTUM (0.39) PPARAALDH1A1KDM4ETSHRCA12
SCHEMBL13486792 0.70 CA12 (0.42) PPARAALDH1A1KDM4ETSHRCA12
SCHEMBL18304558 0.70 KDM4E (0.44) ALDH1A1KDM4ETSHRCA12CA1

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 7 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-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
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 2873/4885NPC1 2250/4885

“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.