SCHEMBL1768545

SCHEMBL1768545

Brc1ccccc1-c1c(Br)cccc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MAPK1 P28482 3/20 0.55
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
PDK2 Q15119 1/20 0.44
MAPT P10636 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PBRM1 Q86U86 1/20 0.40
IDO1 P14902 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
HPGD P15428 2/20 0.39
DCUN1D1 Q96GG9 2/20 0.39

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
SCHEMBL29803148 1.00 ALDH1A1 (0.55) ALDH1A1MAPK1CA1CA2CA7
SCHEMBL31275971 0.86 ALDH1A1 (0.52) ALDH1A1MAPK1CA1CA2CA7
SCHEMBL1768666 0.83 ALDH1A1 (0.44) ALDH1A1MAPK1CA1CA2CA7
SCHEMBL1768210 0.83 HSD11B1 (0.46) ALDH1A1MAPK1CA1CA2CA7
SCHEMBL1768477 0.83 ALDH1A1 (0.54) ALDH1A1MAPK1CA1CA2CA7
SCHEMBL1768510 0.83 ALDH1A1 (0.70) ALDH1A1MAPK1CA1CA2CA7
SCHEMBL7520229 0.83 ALDH1A1 (0.44) ALDH1A1MAPK1CA1CA2CA7
SCHEMBL1768187 0.83 ALDH1A1 (0.44) ALDH1A1MAPK1CA1CA2CA7
SCHEMBL1768195 0.83 ALDH1A1 (0.52) ALDH1A1MAPK1CA1CA2CA7
SCHEMBL31713020 0.81 CA1 (0.48) ALDH1A1MAPK1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137659-A1 PROCESS FOR THE SYNTHESIS OF 2,2',6-TRIBROMOBIPHENYL UNIVERSITE DE STRASBOURG (FR) 2010-06-03 US claimed
JP-2010504365-A 2010-02-12 JP claimed
EP-2069272-A1 PROCESS FOR THE SYNTHESIS OF 2,2',6-TRIBROMOBIPHENYL LONZA AG (CH) 2009-06-17 EP claimed
WO-2008037440-A1 PROCESS FOR THE SYNTHESIS OF 2,2',6-TRIBROMOBIPHENYL LONZA AG (CH) 2008-04-03 WO claimed
EP-1905755-A1 Process for the synthesis of 2,2 ,6-tribromobiphenyl LONZA AG (CH) 2008-04-02 EP claimed
EP-4451832-A2 HETEROAROMATIC COMPOUNDS Merck Patent GmbH (DE) 2024-10-23 EP disclosed
EP-3728275-B1 HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2024-09-04 EP disclosed
US-20210036245-A1 HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2021-02-04 US disclosed
US-20210036245-A1 HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2021-02-04 US disclosed
EP-3728275-A1 HETEROAROMATIC COMPOUNDS Merck Patent GmbH (DE) 2020-10-28 EP disclosed
US-20190263841-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-08-29 US disclosed
CN-110088112-A Compound for electronic device 默克专利有限公司 2019-08-02 CN disclosed
WO-2008037440-A1 PROCESS FOR THE SYNTHESIS OF 2,2',6-TRIBROMOBIPHENYL LONZA AG (CH) 2008-04-03 WO disclosed
WO-2008037440-A1 PROCESS FOR THE SYNTHESIS OF 2,2',6-TRIBROMOBIPHENYL LONZA AG (CH) 2008-04-03 WO disclosed
WO-2008037440-A1 PROCESS FOR THE SYNTHESIS OF 2,2',6-TRIBROMOBIPHENYL LONZA AG (CH) 2008-04-03 WO disclosed
EP-1905755-A1 Process for the synthesis of 2,2 ,6-tribromobiphenyl LONZA AG (CH) 2008-04-02 EP disclosed
EP-1905755-A1 Process for the synthesis of 2,2 ,6-tribromobiphenyl LONZA AG (CH) 2008-04-02 EP disclosed
EP-1905755-A1 Process for the synthesis of 2,2 ,6-tribromobiphenyl LONZA AG (CH) 2008-04-02 EP disclosed
EP-1778704-A1 PROCESS FOR THE PREPARATION OF ASYMMETRICALLY SUBSTITUTED BIARYLDIPHOSPHINES LONZA AG (CH) 2007-05-02 EP disclosed
WO-2006002731-A1 PROCESS FOR THE PREPARATION OF ASYMMETRICALLY SUBSTITUTED BIARYLDIPHOSPHINES LONZA AG (CH) 2006-01-12 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-20190263841-A1 COMPOUNDS FOR ELECTRONIC DEVICES ETV6, EED, FES ALDH1A1 636/4885MAPK1 2169/4885CA1 3392/4885
US-20100137659-A1 PROCESS FOR THE SYNTHESIS OF 2,2',6-TRIBROMOBIPHENYL TRIB2, CYP2B6, UGT1A6 ALDH1A1 2298/4885MAPK1 2126/4885CA1 3987/4885
US-20210036245-A1 HETEROAROMATIC COMPOUNDS ETV6, FES, LEF1 ALDH1A1 752/4885MAPK1 3471/4885CA1 3822/4885

“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.