SCHEMBL4455081

SCHEMBL4455081

CC(C)(C)c1cc(-c2cccc(Br)n2)cc(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 1/20 0.40
KIF11 P52732 1/20 0.40
RXRA P19793 5/20 0.39
RXRB P28702 5/20 0.39
RXRG P48443 3/20 0.35
CTSS P25774 2/20 0.34
CTSK P43235 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MPL P40238 2/20 0.34
METAP2 P50579 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 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
SCHEMBL4451357 0.82 CTSS (0.46) KDM4ES1PR1S1PR3CTSSGABRA1
SCHEMBL26233974 0.80 CCR1 (0.54) KDM4EGAAMAPTS1PR1S1PR3
SCHEMBL4464087 0.76 PTGS2 (0.43) MAPTMEN1KMT2A
SCHEMBL30895934 0.76 CCR1 (0.41) MAPTMETAP2MEN1RAB9AKMT2A
SCHEMBL25389606 0.75 RXRB (0.40) KDM4EGAAMAPTS1PR1S1PR3
SCHEMBL30570364 0.75 RXRB (0.40) KDM4EGAAMAPTS1PR1S1PR3
SCHEMBL22171332 0.75 METAP2 (0.43) KDM4EMAPTKIF11METAP2GABRA1
SCHEMBL4787 0.74 CTSS (0.60) KDM4ECTSSCTSKCNR1CNR2
SCHEMBL22171364 0.74 METAP2 (0.34) KDM4EMAPTS1PR1S1PR3KIF11
SCHEMBL21201421 0.73 IDO1 (0.37) KIF11GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108779204-B Olefin polymerization catalyst system and method of using same 陶氏环球技术有限责任公司 2021-06-18 CN disclosed
US-10968289-B2 Olefin polymerization catalyst systems and methods of use thereof DOW GLOBAL TECHNOLOGIES LLC (US) 2021-04-06 US disclosed
US-20200277411-A1 OLEFIN POLYMERIZATION CATALYST SYSTEMS AND METHODS OF USE THEREOF DOW GLOBAL TECHNOLOGIES LLC (US) 2020-09-03 US disclosed
EP-3436487-B1 OLEFIN POLYMERIZATION CATALYST SYSTEMS AND METHODS OF USE THEREOF DOW GLOBAL TECHNOLOGIES LLC (US) 2020-01-22 EP disclosed
EP-3436487-A1 OLEFIN POLYMERIZATION CATALYST SYSTEMS AND METHODS OF USE THEREOF Dow Global Technologies, LLC (US) 2019-02-06 EP disclosed
WO-2017173080-A1 OLEFIN POLYMERIZATION CATALYST SYSTEMS AND METHODS OF USE THEREOF DOW GLOBAL TECHNOLOGIES LLC (US) 2017-10-05 WO disclosed
WO-2017173080-A1 OLEFIN POLYMERIZATION CATALYST SYSTEMS AND METHODS OF USE THEREOF DOW GLOBAL TECHNOLOGIES LLC (US) 2017-10-05 WO disclosed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
EP-1988900-A2 PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-11-12 EP disclosed
WO-2007100610-A2 PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-09-07 WO disclosed
WO-2007100610-A2 PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-09-07 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-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators CXCR3, CXCR1, CXCR5 KDM4E 3976/4885GAA 4789/4885MAPT 4572/4885

“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.