SCHEMBL1778091

SCHEMBL1778091

O=S1(=O)Oc2ccc3cc(Br)ccc3c2-c2c(ccc3cc(Br)ccc23)O1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ERN1 O75460 1/20 0.39
SIRT2 Q8IXJ6 9/20 0.38
SIRT1 Q96EB6 1/20 0.38
CYP2A6 P11509 1/20 0.35
AHR P35869 1/20 0.35
NCEH1 Q6PIU2 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
DPP4 P27487 2/20 0.33
METAP2 P50579 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 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
SCHEMBL12022797 0.79 HNF4A (0.41) CA12CA2CA9GPR84KDM4E
SCHEMBL16772619 0.76 ERN1 (0.39) ERN1SIRT2SIRT1CYP2A6AHR
SCHEMBL12022793 0.76 CA1 (0.41) CA2GPR84KDM4E
SCHEMBL3568497 0.75 MAPT (0.52) ERN1SIRT2SIRT1CYP2A6AHR
SCHEMBL3561759 0.75 SIRT2 (0.40) ERN1SIRT2SIRT1CYP2A6AHR
SCHEMBL1777121 0.74 GPR84 (0.53) CA12CA9SIRT1CYP2A6GPR84
SCHEMBL30901145 0.74 GPR84 (0.53) CA12CA9SIRT1CYP2A6GPR84
SCHEMBL297640 0.73 GPR84 (0.62) ERN1SIRT2SIRT1NCEH1GPR84
SCHEMBL12600563 0.73 CYP1A1 (0.50) GPR84
SCHEMBL3565631 0.72 MAPT (0.44) ERN1SIRT2SIRT1CYP2A6AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004622-B1 CHIRAL BINAPHTHYL SULFATES FOR USE AS LIQUID CRYSTAL MATERIALS MERCK PATENT GMBH (DE) 2011-12-14 EP disclosed
EP-2004622-B1 CHIRAL BINAPHTHYL SULFATES FOR USE AS LIQUID CRYSTAL MATERIALS MERCK PATENT GMBH (DE) 2011-12-14 EP disclosed
US-7943061-B2 Chiral binaphthyl sulfates for use as liquid crystal materials MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-05-17 US disclosed
US-7943061-B2 Chiral binaphthyl sulfates for use as liquid crystal materials MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-05-17 US disclosed
US-7943061-B2 Chiral binaphthyl sulfates for use as liquid crystal materials MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-05-17 US disclosed
US-20100019199-A1 CHIRAL BINAPHTHYL SULFATES FOR USE AS LIQUID CRYSTAL MATERIALS MERCK PATENT GESELLSCHAFT (DE) 2010-01-28 US disclosed
US-20100019199-A1 CHIRAL BINAPHTHYL SULFATES FOR USE AS LIQUID CRYSTAL MATERIALS MERCK PATENT GESELLSCHAFT (DE) 2010-01-28 US disclosed
EP-2004622-A1 CHIRAL BINAPHTHYL SULFATES FOR USE AS LIQUID CRYSTAL MATERIALS Merck Patent GmbH (DE) 2008-12-24 EP disclosed
WO-2007124383-A2 1,1'-BINAPHTHYL-BASED INHIBITORS OF NAD+-DEPENDENT DEACETYLASE ACTIVITY AND SIR2-FAMILY MEMBERS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2007-11-01 WO disclosed
WO-2007115639-A1 CHIRAL BINAPHTHYL SULFATES FOR USE AS LIQUID CRYSTAL MATERIALS MERCK PATENT GMBH (DE) 2007-10-18 WO disclosed
WO-2007115639-A1 CHIRAL BINAPHTHYL SULFATES FOR USE AS LIQUID CRYSTAL MATERIALS MERCK PATENT GMBH (DE) 2007-10-18 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-20100019199-A1 CHIRAL BINAPHTHYL SULFATES FOR USE AS LIQUID CRYSTAL MATERIALS DVL3, DVL1, EBPL CA12 591/4885CA2 3971/4885CA9 1254/4885

“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.