SCHEMBL1030827

SCHEMBL1030827

C=C[Sn](C=C)(C=C)CCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
THRB P10828 1/20 0.42
ALDH1A1 P00352 4/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
DNM1 Q05193 5/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC22A1 O15245 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
SCHEMBL1028644 1.00 TSHR (0.46) TSHRTHRBALDH1A1ZDHHC20ZDHHC2
SCHEMBL1031768 1.00 TSHR (0.46) TSHRTHRBALDH1A1ZDHHC20ZDHHC2
SCHEMBL3096180 0.89 TSHR (0.41) TSHRTHRBALDH1A1LMNA
SCHEMBL5457905 0.79 TSHR (0.46) TSHRTHRBALDH1A1ZDHHC20ZDHHC2
SCHEMBL15018875 0.79 TSHR (0.46) TSHRTHRBALDH1A1ZDHHC20ZDHHC2
Heptane SCHEMBL28181693 0.71 TSHR (0.55) TSHRTHRBALDH1A1DNM1LMNA
Decane SCHEMBL4518816 0.70 TSHR (0.61) TSHRTHRBALDH1A1DNM1LMNA
Octane SCHEMBL4515243 0.70 TSHR (0.61) TSHRTHRBALDH1A1DNM1LMNA
Heptane SCHEMBL11697610 0.70 TSHR (0.61) TSHRTHRBALDH1A1DNM1LMNA
Octane SCHEMBL28971016 0.70 TSHR (0.61) TSHRTHRBALDH1A1DNM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080581-A1 MULTICOORDINATED METAL COMPLEXES FOR USE IN METATHESIS REACTIONS RIMTEC CORPORATION (JP) 2015-03-19 US disclosed
US-8927670-B2 Multicoordinated metal complexes for use in metathesis reactions RIMTEC CORPORATION (JP) 2015-01-06 US disclosed
EP-2397475-B1 4, 4' disubstituted 4H-cyclopentadithiophene and new methods for synthesising the same IMEC (BE) 2014-11-12 EP disclosed
US-8765882-B2 Polythiophene based active layer for solar cells IMEC (BE) 2014-07-01 US disclosed
US-8450604-B2 Polymerisable compounds for making opto-electronic devices IMEC (BE) 2013-05-28 US disclosed
US-8329923-B2 4, 4′ disubstituted 4H-cyclopentadithiophene and new methods for synthesizing the same IMEC (BE) 2012-12-11 US disclosed
US-20120279569-A1 POLYTHIOPHENE BASED ACTIVE LAYER FOR SOLAR CELLS UNIVERSITEIT HASSELT (BE) 2012-11-08 US disclosed
EP-2509972-A1 POLYMERS COMPRISING 3 -SUBSTITUTED THIOPHENE MOIETIES AS ACTIVE LAYERS FOR SOLAR CELLS IMEC (BE) 2012-10-17 EP disclosed
EP-2307398-B1 POLYMERISABLE COMPOUNDS FOR MAKING OPTO-ELECTRONIC DEVICES IMEC (BE) 2012-09-05 EP disclosed
US-20110313175-A1 4, 4' DISUBSTITUTED 4H-CYCLOPENTADITHIOPHENE AND NEW METHODS FOR SYNTHESISING THE SAME UNIVERSITEIT HASSELT (BE) 2011-12-22 US disclosed
EP-2397475-A1 4, 4' disubstituted 4H-cyclopentadithiophene and new methods for synthesising the same IMEC (BE) 2011-12-21 EP disclosed
WO-2011069554-A1 POLYMERS COMPRISING 3 -SUBSTITUTED THIOPHENE MOIETIES AS ACTIVE LAYERS FOR SOLAR CELLS IMEC (BE) 2011-06-16 WO disclosed
US-20110130522-A1 POLYMERISABLE COMPOUNDS FOR MAKING OPTO-ELECTRONIC DEVICES UNIVERSITEIT HASSELT (BE) 2011-06-02 US disclosed
EP-2307398-A1 POLYMERISABLE COMPOUNDS FOR MAKING OPTO-ELECTRONIC DEVICES IMEC (BE) 2011-04-13 EP disclosed
EP-1757613-B1 Multicoordinated metal complexes for use in metathesis reactions TELENE SAS (FR) 2011-01-19 EP disclosed
WO-2010000504-A1 POLYMERISABLE COMPOUNDS FOR MAKING OPTO-ELECTRONIC DEVICES INTERUNIVERSITAIR MICROELEKTRONICA CENTRUM (BE) 2010-01-07 WO disclosed
US-20080293905-A9 MULTICOORDINATED METAL COMPLEXES FOR USE IN METATHESIS REACTIONS RIMTEC CORPORATION (JP) 2008-11-27 US disclosed
WO-2007022945-A2 MULTICOORDINATED METAL COMPLEXES FOR USE IN METATHESIS REACTIONS VIACATT N.V. (BE) 2007-03-01 WO disclosed
EP-1757613-A1 Multicoordinated metal complexes for use in metathesis reactions Viacatt N.V. (BE) 2007-02-28 EP disclosed
US-20070043188-A1 MULTICOORDINATED METAL COMPLEXES FOR USE IN METATHESIS REACTIONS TELENE S.A.S. (FR) 2007-02-22 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 (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-20150080581-A1 MULTICOORDINATED METAL COMPLEXES FOR USE IN METATHESIS REACTIONS APEX1, SOD1, AP1M1 TSHR 4417/4885THRB 4749/4885ALDH1A1 1713/4885
US-20120279569-A1 POLYTHIOPHENE BASED ACTIVE LAYER FOR SOLAR CELLS SCO2, CLTB, CLTC TSHR 4501/4885THRB 4127/4885ALDH1A1 2933/4885
US-20110313175-A1 4, 4' DISUBSTITUTED 4H-CYCLOPENTADITHIOPHENE AND NEW METHODS FOR SYNTHESISING THE SAME DDT, NISCH, DBH TSHR 784/4885THRB 166/4885ALDH1A1 2561/4885

“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.