SCHEMBL2387476

SCHEMBL2387476

O=C(O)C(Cc1ccccc1Br)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
ALDH1A1 P00352 2/20 0.45
GPR52 Q9Y2T5 1/20 0.44
CTNNB1 P35222 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
IDO1 P14902 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
RIPK1 Q13546 1/20 0.40

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
SCHEMBL7386121 0.86 CYP1A2 (0.55) KMT2APPARGPPARAALDH1A1GPR52
SCHEMBL1828507 0.84 PPARG (0.51) KMT2APPARGPPARAALDH1A1GPR52
SCHEMBL10170671 0.84 PPARG (0.51) KMT2APPARGPPARAALDH1A1GPR52
SCHEMBL12238425 0.84 PPARG (0.51) KMT2APPARGPPARAALDH1A1GPR52
SCHEMBL27809269 0.84 PPARG (0.51) KMT2APPARGPPARAALDH1A1GPR52
SCHEMBL23189271 0.82 APAF1 (0.51) KMT2APPARGPPARAALDH1A1GPR52
SCHEMBL43301 0.82 SLC7A5 (0.58) KMT2APPARGPPARAALDH1A1CYP1A2
SCHEMBL29400473 0.82 SLC7A5 (0.58) KMT2APPARGPPARAALDH1A1CYP1A2
SCHEMBL1250588 0.82 SLC7A5 (0.58) KMT2APPARGPPARAALDH1A1CYP1A2
SCHEMBL31558898 0.82 APAF1 (0.51) KMT2APPARGPPARAALDH1A1GPR52

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022234-B1 SUBSTITUTED METALLOCENE CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC (US) 2018-12-26 EP disclosed
US-9458254-B2 Substituted metallocene catalysts EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-10-04 US disclosed
EP-3022234-A1 SUBSTITUTED METALLOCENE CATALYSTS ExxonMobil Chemical Patents Inc. (US) 2016-05-25 EP disclosed
WO-2015009479-A1 SUBSTITUTED METALLOCENE CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-01-22 WO disclosed
US-20150025209-A1 Substituted Metallocene Catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2015-01-22 US disclosed
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
US-8415492-B2 Metallocene compounds, catalysts comprising them, process for producing an olefin polymer by use of the catalysts, and olefin homo- and copolymers LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2013-04-09 US disclosed
EP-2384343-A1 NEW METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS Lummus Novolen Technology Gmbh (DE) 2011-11-09 EP disclosed
US-20110230630-A1 METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2011-09-22 US disclosed
WO-2010077230-A1 NEW METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2010-07-08 WO disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP disclosed
EP-0693502-B1 Catalyst component for the polymerization of alpha-olefins and a process for preparing alpha-olefin polymers with use of same MITSUBISHI CHEM CORP (JP) 1997-11-05 EP disclosed
US-5594081-A METALLOCENES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-01-14 US disclosed
EP-0693502-A1 Catalyst component for the polymerization of alpha-olefins and a process for preparing alpha-olefin polymers with use of same MITSUBISHI CHEMICAL CORPORATION (JP) 1996-01-24 EP 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-20110230630-A1 METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS PIN1, PCNA, OPRM1 KMT2A 2005/4885PPARG 2023/4885PPARA 1017/4885

“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.