SCHEMBL3373620

SCHEMBL3373620

CCOP(=O)(Cc1cc(Br)c(CP(=O)(OCC)OCC)cc1Br)OCC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.43
EGFR P00533 2/20 0.41
PPARD Q03181 1/20 0.38
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL10022793 0.92 MAPT (0.44) MAPTTSHRHTTEGFRPPARD
SCHEMBL4419535 0.91 MAPT (0.42) MAPTTSHRHTTEGFRPPARD
SCHEMBL23908226 0.83 TSHR (0.50) MAPTTSHRHTTEGFRPPARD
SCHEMBL3373657 0.83 EGFR (0.39) MAPTTSHRHTTEGFRCCNT1
SCHEMBL28823204 0.81 EGFR (0.39) MAPTTSHRHTTEGFRCCNT1
SCHEMBL7847174 0.81 EGFR (0.39) MAPTTSHRHTTEGFRTDP1
SCHEMBL18304415 0.81 PYCR1 (0.39) MAPTTSHRHTTEGFRTDP1
SCHEMBL31744500 0.81 PPARD (0.44) MAPTTSHRHTTPPARD
SCHEMBL30626563 0.80 MAPT (0.39) MAPTTSHRHTTEGFRPPARD
SCHEMBL24357401 0.80 MAPT (0.39) MAPTTSHRHTTEGFRPPARD

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
EP-2046785-B1 1,4-BIS(2-THIENYLVINYL)BENZOL DERIVATIVES AND THEIR USE MERCK PATENT GMBH (DE) 2013-02-27 EP disclosed
US-8236968-B2 1,4-bis(2-thienylvinyl)benzol derivatives and their use MERCK PATENT GMBH (DE) 2012-08-07 US disclosed
US-8236968-B2 1,4-bis(2-thienylvinyl)benzol derivatives and their use MERCK PATENT GMBH (DE) 2012-08-07 US disclosed
EP-2236488-A1 Materials, methods and uses for photochemical generation of acids and/or radical species The Arizona Board of Regents on behalf of the University of Arizona (US) 2010-10-06 EP disclosed
US-20090321686-A1 1,4-BIS(2-THIENYLVINYL)BENZOL DERIVATIVES AND THEIR USE BUESING ARNE 2009-12-31 US disclosed
US-20090321686-A1 1,4-BIS(2-THIENYLVINYL)BENZOL DERIVATIVES AND THEIR USE BUESING ARNE 2009-12-31 US disclosed
EP-2046785-A1 1,4-BIS(2-THIENYLVINYL)BENZOL DERIVATIVES AND THEIR USE Merck Patent GmbH (DE) 2009-04-15 EP disclosed
US-7459106-B2 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-12-02 US disclosed
WO-2008011967-A1 1,4-BIS(2-THIENYLVINYL)BENZOL DERIVATIVES AND THEIR USE MERCK PATENT GMBH (DE) 2008-01-31 WO disclosed
EP-1390664-A4 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES UNIV ARIZONA (US) 2008-01-02 EP disclosed
US-20050173683-A1 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZ BD OF REGENTS ON BEHALF OF THE UNIV OF AZ (US) 2005-08-11 US disclosed
EP-1390664-A1 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES The Arizona Board of Regents (US) 2004-02-25 EP disclosed
WO-2002079691-A1 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2002-10-10 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-20090321686-A1 1,4-BIS(2-THIENYLVINYL)BENZOL DERIVATIVES AND THEIR USE TTL, VCL, BRD4 MAPT 854/4885TSHR 3265/4885HTT 1520/4885

“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.