SCHEMBL83335

SCHEMBL83335

N#Cc1ccc(-c2ccc(O)cc2F)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.57
ESR1 P03372 9/20 0.56
ESR2 Q92731 5/20 0.56
AR P10275 4/20 0.53
CA12 O43570 1/20 0.52
CA2 P00918 1/20 0.52
CA3 P07451 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
KIF11 P52732 1/20 0.44
CYP19A1 P11511 1/20 0.43

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
SCHEMBL15834317 0.90 MMP3 (0.63) MMP3ESR1ESR2ARCA12
SCHEMBL16582522 0.89 ESR1 (0.50) MMP3ESR1ESR2ARCA12
SCHEMBL28165919 0.89 MMP3 (0.57) MMP3ESR1ESR2ARCA12
SCHEMBL16615529 0.89 ESR1 (0.49) MMP3ESR1ESR2ARCA12
SCHEMBL6068004 0.83 MMP3 (0.63) MMP3ESR2CA12CA2CA3
SCHEMBL27806612 0.83 KIF11 (0.51) MMP3CA12CA2CA9PDE3B
SCHEMBL397141 0.83 KIF11 (0.61) MMP3CA12CA2CA9PDE3B
SCHEMBL38659424 0.82 ESR1 (0.70) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL28226426 0.82 ESR1 (0.70) ESR1ESR2HSD17B1HSD17B2FGFR1
SCHEMBL19579048 0.81 KIF11 (0.52) MMP3ARCA12CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392561-B2 Bimesogenic compounds and mesogenic media MERCK PATENT GMBH (DE) 2019-08-27 US disclosed
US-10392561-B2 Bimesogenic compounds and mesogenic media MERCK PATENT GMBH (DE) 2019-08-27 US disclosed
EP-3234065-B1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2018-09-26 EP disclosed
EP-3218446-B1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2018-07-04 EP disclosed
US-20170369780-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-12-28 US disclosed
US-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-30 US disclosed
WO-2017194665-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-16 WO disclosed
US-20170327741-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-16 US disclosed
US-20170327741-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-16 US disclosed
US-20170327741-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-16 US disclosed
US-7691455-B2 Liquid crystalline medium and liquid crystal display MERCK PATENT GMBH (DE) 2010-04-06 US disclosed
US-20090267025-A1 LIQUID CRYSTAL SYSTEM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2009-10-29 US disclosed
US-7531106-B2 Mesogenic compounds, medium for electro-optical displays and electro-optical display MERCK PATENT GMBH (DE) 2009-05-12 US disclosed
US-7482044-B2 Liquid crystalline medium and liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2009-01-27 US disclosed
US-7445819-B2 Liquid crystalline medium and liquid crystal display MERCK PATENT GMBH (DE) 2008-11-04 US disclosed
US-7440160-B2 Electro-optical light modulating element, electro-optical display and modulating medium MERCK PATENT GMBH (DE) 2008-10-21 US disclosed
US-20080167482-A1 mesogenic group is linked to the C-atom No. 5 of the 1,3-dioxane-5-yl group; media showing a blue phase and their use in electro-optical light modulation elements MERCK PATENT GMBH (DE) 2008-07-10 US disclosed
US-20080124492-A1 Liquid crystalline medium and liquid crystal display MERCK PATENT GMBH 2008-05-29 US disclosed
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display MERCK PATENT GMBH (DE) 2008-05-22 US disclosed
US-20070235688-A1 Liquid crystalline medium and liquid crystal display MERCK PATENT GESELLSCHAFT 2007-10-11 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 (5 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-20170369780-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MTX1, MTX2, MIF MMP3 251/4885ESR1 4500/4885ESR2 3773/4885
US-20170327741-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 MMP3 288/4885ESR1 2231/4885ESR2 1738/4885
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display CRY1, CRY2, IK MMP3 1519/4885ESR1 1914/4885ESR2 1851/4885
US-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MTX1, S100A11, MCRS1 MMP3 549/4885ESR1 4337/4885ESR2 3091/4885
US-10392561-B2 Bimesogenic compounds and mesogenic media SP1, FOXM1, S100A11 MMP3 288/4885ESR1 2231/4885ESR2 1738/4885

“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.