SCHEMBL12470458

SCHEMBL12470458

CCc1cc(C)ccc1S(=O)(=O)OCCOCCOCCOCCOC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 10/20 0.33
LMNA P02545 4/20 0.33
HPGD P15428 4/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 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
SCHEMBL28499476 0.85 ALDH1A1 (0.32) KDM4EL3MBTL1SMN1; SMN2TSHRCASP1
SCHEMBL28823865 0.80 RAPGEF4 (0.38) KDM4EL3MBTL1SMN1; SMN2TSHRCASP1
SCHEMBL21388018 0.78 TSHR (0.41) KDM4EL3MBTL1SMN1; SMN2TSHRCASP1
SCHEMBL29624394 0.78 TSHR (0.41) KDM4EL3MBTL1SMN1; SMN2TSHRCASP1
SCHEMBL3889830 0.77 ALDH1A1 (0.44) KDM4EL3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL25398474 0.75 ALDH1A1 (0.47) CASP7ALDH1A1LMNAHPGDMAPT
SCHEMBL21877144 0.75 ALDH1A1 (0.47) CASP7ALDH1A1LMNAHPGDMAPT
SCHEMBL1218220 0.75 ALDH1A1 (0.47) CASP7ALDH1A1LMNAHPGDMAPT
SCHEMBL22262524 0.75 ALDH1A1 (0.47) CASP7ALDH1A1LMNAHPGDMAPT
SCHEMBL8282614 0.75 ALDH1A1 (0.47) CASP7ALDH1A1LMNAHPGDMAPT

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227366-B2 Bis-iridium-complexes for manufacturing of ECL-labels ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2019-03-12 US disclosed
EP-2673284-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2017-08-30 EP disclosed
EP-2882764-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2017-03-01 EP disclosed
EP-2882823-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2017-02-22 EP disclosed
EP-2880042-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2017-02-01 EP disclosed
US-9499573-B2 Iridium-based complexes for ECL ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2016-11-22 US disclosed
EP-2880123-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2016-10-05 EP disclosed
EP-2880043-B1 NEW BIS-IRIDIUM-COMPLEXES FOR MANUFACTURING OF ECL-LABELS ROCHE DIAGNOSTICS GMBH (DE) 2016-09-21 EP disclosed
US-9416150-B2 Iridium-based complexes for ECL ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2016-08-16 US disclosed
US-9403859-B2 Iridium-based complexes for ECL ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2016-08-02 US disclosed
US-20150140682-A1 IRIDIUM-BASED COMPLEXES FOR ECL WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) 2015-05-21 US disclosed
US-8835637-B2 Iridium-based complexes for ECL ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2014-09-16 US disclosed
WO-2014019709-A2 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2014-02-06 WO disclosed
WO-2014019710-A1 NEW BIS-IRIDIUM-COMPLEXES FOR MANUFACTURING OF ECL-LABELS ROCHE DIAGNOSTICS GMBH (DE) 2014-02-06 WO disclosed
WO-2014019708-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2014-02-06 WO disclosed
WO-2014019707-A2 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2014-02-06 WO disclosed
WO-2014019711-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2014-02-06 WO disclosed
EP-2673284-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL Roche Diagnostics GmbH (DE) 2013-12-18 EP disclosed
US-20130323719-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2013-12-05 US disclosed
WO-2012107419-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2012-08-16 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 (3 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-10227366-B2 Bis-iridium-complexes for manufacturing of ECL-labels HLCS, PDCD2L, LAS1L KDM4E 1904/4885L3MBTL1 146/4885SMN1; SMN2 2528/4885
US-20150140682-A1 IRIDIUM-BASED COMPLEXES FOR ECL ALPL, LIG3, SOD3 KDM4E 4465/4885L3MBTL1 602/4885SMN1; SMN2 4223/4885
US-20130323719-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ALPL, LIG3, SOD3 KDM4E 4590/4885L3MBTL1 516/4885SMN1; SMN2 3943/4885

“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.