SCHEMBL424632

SCHEMBL424632

CC(C)(C)OC(=O)n1c(Br)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
ESR2 Q92731 1/20 0.40
NR1H2 P55055 3/20 0.39
RORC P51449 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 1/20 0.37
ABCB1 P08183 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
UCHL1 P09936 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
ELANE P08246 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL25694403 0.87 BCHE (0.37) BCHEESR2NR1H2RORCMEN1
SCHEMBL421300 0.86 RORC (0.36) BCHEESR2NR1H2RORCABCB1
SCHEMBL421514 0.86 BCHE (0.36) BCHEESR2NR1H2RORCMEN1
SCHEMBL26405191 0.84 ABCB1 (0.37) BCHEESR2NR1H2RORCABCB1
SCHEMBL12562964 0.84 NPC1 (0.36) BCHEESR2NR1H2RORCNPC1
SCHEMBL425376 0.79 GLA (0.39) NR1H2MEN1KMT2A
SCHEMBL28050021 0.78 BCHE (0.41) BCHEESR2NR1H2MEN1KMT2A
SCHEMBL3188741 0.77 BCHE (0.43) BCHEESR2NR1H2MEN1KMT2A
SCHEMBL12602455 0.76 LMNA (0.37) BCHEESR2NR1H2RORCGABRG2
SCHEMBL426274 0.75 MEN1 (0.41) MEN1KMT2AHTTGABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116020558-B Pyrrole bridged ethylene oligomerization catalyst composition and application 中国石油化工股份有限公司 2025-05-06 CN disclosed
CN-118847222-A Preparation method and application of PNP ligand synthetic solution for ethylene selective oligomerization chromium complex catalyst 大连理工大学 2024-10-29 CN disclosed
CN-116020558-A Pyrrole bridged ethylene oligomerization catalyst composition and application 中国石油化工股份有限公司 2023-04-28 CN disclosed
US-9765102-B2 ONO pincer ligands and ONO pincer ligand comprising metal complexes UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-9765102-B2 ONO pincer ligands and ONO pincer ligand comprising metal complexes UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-20170022230-A1 ONO Pincer Ligands and ONO Pincer Ligand Comprising Metal Complexes UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-01-26 US disclosed
US-9464104-B2 Ono pincer ligands and ono pincer ligand comprising metal complexes UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-10-11 US disclosed
US-9464104-B2 Ono pincer ligands and ono pincer ligand comprising metal complexes UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-10-11 US disclosed
US-20140073800-A1 ONO PINCER LIGANDS AND ONO PINCER LIGAND COMPRISING METAL COMPLEXES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-03-13 US disclosed
US-20140073800-A1 ONO PINCER LIGANDS AND ONO PINCER LIGAND COMPRISING METAL COMPLEXES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-03-13 US disclosed
EP-2239253-B1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
US-8415359-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-09 US disclosed
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 US disclosed
US-8017610-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-09-13 US disclosed
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-06 US disclosed
EP-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 EP disclosed
US-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same BioVersys AG (CH) 2008-05-22 US disclosed
US-7335753-B2 Bifunctional heterocyclic compounds and methods of making and using same RIB-X PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-20070072811-A1 Bifunctional heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. 2007-03-29 US 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 (6 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-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same PCNA, DCX, ATIC BCHE 923/4885ESR2 4233/4885NR1H2 3711/4885
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 BCHE 3406/4885ESR2 2067/4885NR1H2 1770/4885
US-20070072811-A1 Bifunctional heterocyclic compounds and methods of making and using the same PCNA, DCX, HPGDS BCHE 911/4885ESR2 4074/4885NR1H2 3821/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 BCHE 3406/4885ESR2 2067/4885NR1H2 1770/4885
US-20140073800-A1 ONO PINCER LIGANDS AND ONO PINCER LIGAND COMPRISING METAL COMPLEXES PIN4, PNN, OSTC BCHE 4321/4885ESR2 1279/4885NR1H2 2576/4885
US-20170022230-A1 ONO Pincer Ligands and ONO Pincer Ligand Comprising Metal Complexes PIN4, PNN, OSTC BCHE 4316/4885ESR2 1538/4885NR1H2 3039/4885

“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.