SCHEMBL766731

SCHEMBL766731

CCCCCCCCCCOc1cc(I)c(OCCCCCCCCCC)cc1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
ESR1 P03372 1/20 0.46
PTPN11 Q06124 3/20 0.43
S1PR3 Q99500 1/20 0.43
TLR8 Q9NR97 1/20 0.42
NR5A1 Q13285 1/20 0.42
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
MAPT P10636 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PLA2G2A P14555 1/20 0.42

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
SCHEMBL13400876 1.00 THRA (0.49) THRATHRBESR1PTPN11S1PR3
SCHEMBL1778304 1.00 THRA (0.49) THRATHRBESR1PTPN11S1PR3
SCHEMBL1776059 1.00 THRA (0.49) THRATHRBESR1PTPN11S1PR3
SCHEMBL1899569 1.00 THRA (0.49) THRATHRBESR1PTPN11S1PR3
SCHEMBL2831022 1.00 THRA (0.49) THRATHRBESR1PTPN11S1PR3
SCHEMBL14029780 0.92 SMPD1 (0.46) THRATHRBESR1LMNACYP3A4
SCHEMBL9556471 0.91 CYP1A2 (0.45) THRATHRBESR1TLR8MEN1
SCHEMBL13171441 0.91 THRA (0.44) THRATHRBESR1PTPN11S1PR3
SCHEMBL3338651 0.91 THRA (0.44) THRATHRBESR1PTPN11S1PR3
SCHEMBL15135019 0.89 ESR1 (0.46) THRATHRBESR1PTPN11S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9623123-B2 Fluorescent conjugated polymers with a bodipy-based backbone and uses thereof MICHIGAN TECHNOLOGICAL UNIVERSITY (US) 2017-04-18 US disclosed
US-20170014532-A1 FLUORESCENT CONJUGATED POLYMERS WITH A BODIPY-BASED BACKBONE AND USES THEREOF UNIV MICHIGAN TECH (US) 2017-01-19 US disclosed
US-9412949-B2 Fluorescent conjugated polymers with a bodipy-based backbone and uses thereof MICHIGAN TECHNOLOGICAL UNIVERSITY (US) 2016-08-09 US disclosed
US-20130059996-A1 Boron-Containing PI-Electron Materials Incorporating Formally Aromatic and Neutral Borepin Rings THE JOHNS HOPKINS UNIVERSITY 2013-03-07 US disclosed
US-20120259073-A1 METHODS FOR THE SYNTHESIS OF MODULAR POLY(PHENYLENEETHYNYLENES) AND FINE TUNING THE ELECTRONIC PROPERTIES THEREOF FOR THE FUNCTIONALIZATION OF NANOMATERIALS ZYVEX PERFORMANCE MATERIALS, INC. (US) 2012-10-11 US disclosed
US-20120259073-A1 METHODS FOR THE SYNTHESIS OF MODULAR POLY(PHENYLENEETHYNYLENES) AND FINE TUNING THE ELECTRONIC PROPERTIES THEREOF FOR THE FUNCTIONALIZATION OF NANOMATERIALS ZYVEX PERFORMANCE MATERIALS, INC. (US) 2012-10-11 US disclosed
US-20120259073-A1 METHODS FOR THE SYNTHESIS OF MODULAR POLY(PHENYLENEETHYNYLENES) AND FINE TUNING THE ELECTRONIC PROPERTIES THEREOF FOR THE FUNCTIONALIZATION OF NANOMATERIALS ZYVEX PERFORMANCE MATERIALS, INC. (US) 2012-10-11 US disclosed
US-20120070382-A1 FLUORESCENT CONJUGATED POLYMERS WITH A BODIPY-BASED BACKBONE AND USES THEREOF MICHIGAN TECHNOLOGICAL UNIVERSITY (US) 2012-03-22 US disclosed
WO-2011127383-A2 BORON-CONTAINING PI-ELECTRON MATERIALS INCORPORATING FORMALLY AROMATIC AND NEUTRAL BOREPIN RINGS THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-13 WO disclosed
US-7781223-B2 Molecular-wire type fluorescent chiral sensor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-08-24 US disclosed
US-20090203867-A1 METHODS FOR THE SYNTHESIS OF MODULAR POLY(PHENYLENEETHYNYLENES) AND FINE TUNING THE ELECTRONIC PROPERTIES THEREOF FOR THE FUNCTIONALIZATION OF NANOMATERIALS ZYVEX PERFORMANCE MATERIALS, INC. (US) 2009-08-13 US disclosed
US-20090203867-A1 METHODS FOR THE SYNTHESIS OF MODULAR POLY(PHENYLENEETHYNYLENES) AND FINE TUNING THE ELECTRONIC PROPERTIES THEREOF FOR THE FUNCTIONALIZATION OF NANOMATERIALS ZYVEX PERFORMANCE MATERIALS, INC. (US) 2009-08-13 US disclosed
US-20090203867-A1 METHODS FOR THE SYNTHESIS OF MODULAR POLY(PHENYLENEETHYNYLENES) AND FINE TUNING THE ELECTRONIC PROPERTIES THEREOF FOR THE FUNCTIONALIZATION OF NANOMATERIALS ZYVEX PERFORMANCE MATERIALS, INC. (US) 2009-08-13 US disclosed
US-7296576-B2 Polymers for enhanced solubility of nanomaterials, compositions and methods therefor ZYVEX PERFORMANCE MATERIALS, LLC (US) 2007-11-20 US disclosed
US-7296576-B2 Polymers for enhanced solubility of nanomaterials, compositions and methods therefor ZYVEX PERFORMANCE MATERIALS, LLC (US) 2007-11-20 US disclosed
US-20070179272-A1 Molecular-wire type fluorescent chiral sensor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-08-02 US disclosed
EP-1740655-A1 METHODS FOR THE SYNTHESIS OF MODULAR POLY(PHENYLENEETHYNYLENES) AND FINE TUNING THE ELECTRONIC PROPERTIES THEREOF FOR THE FUNCTIONALIZATION OF NANOMATERIALS Zyvex Corporation (US) 2007-01-10 EP disclosed
US-20060054866-A1 Methods for the synthesis of modular poly(phenyleneethynlenes) and fine tuning the electronic properties thereof for the functionalization of nanomaterials ZYVEX CORPORATION. (US) 2006-03-16 US disclosed
US-20060041104-A1 Polymers for enhanced solubility of nanomaterials, compositions and methods therefor ZYVEX CORPORATION (US) 2006-02-23 US disclosed
WO-2005100466-A1 METHODS FOR THE SYNTHESIS OF MODULAR POLY(PHENYLENEETHYNYLENES) AND FINE TUNING THE ELECTRONIC PROPERTIES THEREOF FOR THE FUNCTIONALIZATION OF NANOMATERIALS ZYVEX CORPORATION (US) 2005-10-27 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-20170014532-A1 FLUORESCENT CONJUGATED POLYMERS WITH A BODIPY-BASED BACKBONE AND USES THEREOF TLR3, TLR5, PARP15 THRA 4506/4885THRB 3915/4885ESR1 1423/4885
US-20130059996-A1 Boron-Containing PI-Electron Materials Incorporating Formally Aromatic and Neutral Borepin Rings PNN, CIAPIN1, VNN1 THRA 2716/4885THRB 1839/4885ESR1 453/4885
US-20120070382-A1 FLUORESCENT CONJUGATED POLYMERS WITH A BODIPY-BASED BACKBONE AND USES THEREOF TLR3, TLR5, PARP15 THRA 4506/4885THRB 3915/4885ESR1 1423/4885

“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.