SCHEMBL6451077

SCHEMBL6451077

O=Cc1c(O)cc(Br)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.52
CYP3A4 P08684 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 3/20 0.39
ALOX12 P18054 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
MAPT P10636 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.36
CA9 Q16790 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
SCHEMBL28356847 0.88 ERN1 (0.47) ERN1CYP3A4TSHRTDP1ALOX15
SCHEMBL3185596 0.83 ERN1 (0.50) ERN1CYP3A4TSHRTDP1GABRA1
SCHEMBL2027536 0.82 ERN1 (0.46) ERN1CYP3A4MAPT
SCHEMBL30169735 0.78 ERN1 (0.41) ERN1CYP3A4MAPTAR
SCHEMBL22587805 0.78 CYP3A4 (0.46) ERN1CYP3A4ALOX15ALOX12MAPT
SCHEMBL12581708 0.78 CYP3A4 (0.46) ERN1CYP3A4MAPTACHE
SCHEMBL16268831 0.78 ERN1 (0.41) ERN1CYP3A4MAPTAR
SCHEMBL6460991 0.78 ERN1 (0.55) ERN1CYP3A4TSHRMAPTCA1
SCHEMBL29249564 0.78 ERN1 (0.39) ERN1CYP3A4MAPTCA12CA1
SCHEMBL20563896 0.78 ERN1 (0.66) ERN1TSHRTDP1ALOX15ALOX12

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
US-10414743-B2 Polymerizable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2019-09-17 US disclosed
US-20160159763-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2016-06-09 US disclosed
US-9279082-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2016-03-08 US disclosed
US-9279082-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2016-03-08 US disclosed
US-9279082-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2016-03-08 US disclosed
EP-2665798-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2014-10-08 EP disclosed
EP-2665798-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2013-11-27 EP disclosed
US-20130308081-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2013-11-21 US disclosed
US-20130308081-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2013-11-21 US disclosed
WO-2012097858-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2012-07-26 WO disclosed
WO-2012097858-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2012-07-26 WO disclosed
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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-10414743-B2 Polymerizable compounds and the use thereof in liquid-crystal displays VCL, LPXN, ACP3 ERN1 3042/4885CYP3A4 2899/4885TSHR 4880/4885
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC ERN1 1272/4885CYP3A4 31/4885TSHR 4398/4885
US-20160159763-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, LPXN, LCP1 ERN1 2793/4885CYP3A4 2764/4885TSHR 4877/4885

“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.