SCHEMBL12470604

SCHEMBL12470604

O=C(O)CCCCCOc1cccnc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
PTPN1 P18031 1/20 0.47
TBXA2R P21731 3/20 0.47
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
AGER Q15109 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LTB4R Q15722 3/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
FABP4 P15090 2/20 0.43
FABP3 P05413 1/20 0.43
TBXAS1 P24557 3/20 0.43
PPARA Q07869 1/20 0.43
FABP1 P07148 1/20 0.43

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
SCHEMBL5517768 0.98 KDM4E (0.49) KDM4EMAPTCYP1A2PTPN1TBXA2R
SCHEMBL12697756 0.94 KDM4E (0.50) KDM4EMAPTCYP1A2PTPN1TBXA2R
SCHEMBL5513972 0.89 LMNA (0.54) KDM4EMAPTCYP1A2PTPN1TBXA2R
SCHEMBL8882025 0.85 PTPN1 (0.62) MAPTPTPN1ALDH1A1CYP3A4TSHR
SCHEMBL2271444 0.84 PTPN1 (0.61) MAPTPTPN1ALDH1A1CYP3A4TSHR
SCHEMBL27480442 0.83 PTPN1 (0.60) KDM4EMAPTCYP1A2PTPN1ALDH1A1
SCHEMBL6042801 0.83 PTPN1 (0.51) KDM4EMAPTCYP1A2PTPN1ALDH1A1
SCHEMBL8881039 0.81 PTPN1 (0.55) KDM4EMAPTCYP1A2PTPN1ALDH1A1
SCHEMBL1138239 0.81 KDM4E (0.50) KDM4EMAPTCYP1A2PTPN1ALDH1A1
SCHEMBL8882396 0.81 ASPH (0.50) KDM4EMAPTPTPN1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2673284-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2017-08-30 EP disclosed
EP-2673284-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2017-08-30 EP disclosed
EP-2880123-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2016-10-05 EP disclosed
EP-2880123-B1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ROCHE DIAGNOSTICS GMBH (DE) 2016-10-05 EP disclosed
US-9403859-B2 Iridium-based complexes for ECL ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2016-08-02 US disclosed
US-9403859-B2 Iridium-based complexes for ECL ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2016-08-02 US disclosed
US-9403859-B2 Iridium-based complexes for ECL ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2016-08-02 US disclosed
US-20160145281-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) 2016-05-26 US disclosed
US-20160145281-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) 2016-05-26 US disclosed
US-20160145281-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) 2016-05-26 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
US-8835637-B2 Iridium-based complexes for ECL ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2014-09-16 US disclosed
US-8835637-B2 Iridium-based complexes for ECL ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2014-09-16 US disclosed
WO-2014019707-A2 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
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
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-20150140682-A1 IRIDIUM-BASED COMPLEXES FOR ECL ALPL, LIG3, SOD3 KDM4E 4465/4885MAPT 4186/4885CYP1A2 3078/4885
US-20160145281-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ALPL, LIG3, SOD3 KDM4E 4590/4885MAPT 4265/4885CYP1A2 3405/4885
US-20130323719-A1 NEW IRIDIUM-BASED COMPLEXES FOR ECL ALPL, LIG3, SOD3 KDM4E 4590/4885MAPT 4265/4885CYP1A2 3405/4885

“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.