SCHEMBL641804

SCHEMBL641804

COCc1cc(C(=O)OC)cc(C)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.53
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CA7 P43166 4/20 0.53
CA9 Q16790 4/20 0.53
CA14 Q9ULX7 4/20 0.53
KDM4E B2RXH2 3/20 0.52
LMNA P02545 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
XDH P47989 2/20 0.52
GAA P10253 2/20 0.52
POLB P06746 1/20 0.52
NFKB1 P19838 1/20 0.52
GFER P55789 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
FUT7 Q11130 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ESR1 P03372 2/20 0.45
PRKCE Q02156 2/20 0.42

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
SCHEMBL10091823 0.88 KDM4E (0.53) CA12CA1CA2CA7CA9
SCHEMBL11981633 0.86 KDM4E (0.52) CA12CA1CA2CA7CA9
SCHEMBL10091807 0.86 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL642906 0.85 KDM4E (0.47) CA12CA1CA2CA7CA9
SCHEMBL10091827 0.85 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL642802 0.84 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL14160643 0.83 NPC1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL198717 0.83 KDM4E (0.65) CA12CA1CA2CA7CA9
SCHEMBL642611 0.81 KDM4E (0.46) CA12CA1CA2CA7CA9
SCHEMBL26657824 0.80 CA12 (0.53) CA12CA1CA2CA7CA9

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
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-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
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
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 CA12 1268/4885CA1 2968/4885CA2 2783/4885

“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.