SCHEMBL1030738

SCHEMBL1030738

Cc1ccccc1[Sn](Cl)(Cl)c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
ACHE P22303 3/20 0.47
ALDH1A1 P00352 4/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
ESR1 P03372 1/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL29463897 1.00 TSHR (0.47) TSHRACHEALDH1A1CA1CA2
SCHEMBL3791019 0.83 TSHR (0.47) TSHRACHEALDH1A1CA1CA2
SCHEMBL1029603 0.83 TSHR (0.47) TSHRACHEALDH1A1CA1CA2
SCHEMBL10937451 0.77 TSHR (0.41) TSHRACHEALDH1A1CA1CA2
SCHEMBL1031960 0.77 TSHR (0.53) TSHRACHEALDH1A1CA1CA2
SCHEMBL5953407 0.74 TSHR (0.50) TSHRACHEALDH1A1CA1CA2
SCHEMBL1405710 0.72 TSHR (0.47) TSHRACHEALDH1A1CA1CA2
SCHEMBL1538839 0.72 TSHR (0.47) TSHRACHEALDH1A1CA1CA2
SCHEMBL1538712 0.72 TSHR (0.47) TSHRACHEALDH1A1CA1CA2
SCHEMBL1030630 0.72 TSHR (0.47) TSHRACHEALDH1A1CA1CA2

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 35 patents — showing the first 20. 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
US-20060287448-A1 Haloaluminoxane compositions, their preparation, and their use in catalysis W. R. GRACE & CO-CONN. 2006-12-21 US disclosed
EP-1701963-A1 HALOALUMINOXANE COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSIS ALBEMARLE CORPORATION (US) 2006-09-20 EP disclosed
WO-2005066191-A1 HALOALUMINOXANE COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSIS ALBEMARLE CORPORATION (US) 2005-07-21 WO disclosed
US-20050143254-A1 Haloaluminoxane compositions, their preparation, and their use in catalysis W. R. GRACE & CO.-CONN. 2005-06-30 US disclosed
US-6624116-B1 Co-feeding a volatile Group 8B metal compound and/or a volatile promoter compound with the paraffinic hydrocarbon and oxygen feedstream into the oxidation reactor under ignition or autothermal process conditions DOW GLOBAL TECHNOLOGIES INC. 2003-09-23 US disclosed
EP-1114013-B1 ON-LINE SYNTHESIS AND REGENERATION OF A CATALYST USED IN AUTOTHERMAL OXIDATION DOW CHEMICAL CO (US) 2002-11-27 EP disclosed
EP-1114013-A1 ON-LINE SYNTHESIS AND REGENERATION OF A CATALYST USED IN AUTOTHERMAL OXIDATION THE DOW CHEMICAL COMPANY (US) 2001-07-11 EP disclosed
US-6166283-A On-line synthesis and regenerating of a catalyst used in autothermal oxidation THE DOW CHEMICAL COMPANY (US) 2000-12-26 US disclosed
WO-2000014037-A1 ON-LINE SYNTHESIS AND REGENERATION OF A CATALYST USED IN AUTOTHERMAL OXIDATION THE DOW CHEMICAL COMPANY (US) 2000-03-16 WO disclosed
US-4547320-A ANTITUMOR AGENTS NEDERLANDSE CENTRALE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK (NL) 1985-10-15 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 4417/4885ACHE 1137/4885ALDH1A1 1713/4885
US-20120279569-A1 POLYTHIOPHENE BASED ACTIVE LAYER FOR SOLAR CELLS SCO2, CLTB, CLTC TSHR 4501/4885ACHE 4529/4885ALDH1A1 2933/4885
US-20110313175-A1 4, 4' DISUBSTITUTED 4H-CYCLOPENTADITHIOPHENE AND NEW METHODS FOR SYNTHESISING THE SAME DDT, NISCH, DBH TSHR 784/4885ACHE 2707/4885ALDH1A1 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.