Sugi Predict

Sugi Predict / Compounds / SCHEMBL1028129

SCHEMBL1028129

SCHEMBL1028129

Cc1ccc(C)c([Sn](c2cc(C)ccc2C)(c2cc(C)ccc2C)c2cc(C)ccc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ CYP2A6 P11509 4/20 0.41
▸ CYP1A2 P05177 4/20 0.41
▸ TP53 P04637 2/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.38
▸ ACHE P22303 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ RAPGEF4 Q8WZA2 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TRPA1 O75762 1/20 0.36

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
SCHEMBL15529912 0.89 CYP2A6 (0.38) TDP1ALDH1A1CYP2A6CYP1A2TP53
SCHEMBL15529622 0.85 TDP1 (0.39) TDP1ALDH1A1CYP2A6CYP1A2TP53
SCHEMBL1031248 0.84 TDP1 (0.38) TDP1ALDH1A1CYP2A6CYP1A2TP53
SCHEMBL15529559 0.84 RAPGEF4 (0.39) TDP1ALDH1A1CYP2A6CYP1A2TP53
SCHEMBL15529922 0.82 TDP1 (0.37) TDP1ALDH1A1CYP2A6CYP1A2TP53
SCHEMBL8501257 0.81 TDP1 (0.44) TDP1ALDH1A1CYP2A6CYP1A2TP53
SCHEMBL15529720 0.80 ACHE (0.48) TDP1ALDH1A1CYP2A6CYP1A2TP53
SCHEMBL1031939 0.79 TDP1 (0.42) TDP1ALDH1A1CYP2A6CYP1A2TP53
SCHEMBL1030428 0.79 TDP1 (0.42) TDP1ALDH1A1CYP2A6CYP1A2TP53
SCHEMBL1030327 0.79 TDP1 (0.42) TDP1ALDH1A1CYP2A6CYP1A2TP53

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 TDP1 3626/4885ALDH1A1 1713/4885CYP2A6 1735/4885
US-20120279569-A1 POLYTHIOPHENE BASED ACTIVE LAYER FOR SOLAR CELLS SCO2, CLTB, CLTC TDP1 4441/4885ALDH1A1 2933/4885CYP2A6 4013/4885
US-20110313175-A1 4, 4' DISUBSTITUTED 4H-CYCLOPENTADITHIOPHENE AND NEW METHODS FOR SYNTHESISING THE SAME DDT, NISCH, DBH TDP1 2288/4885ALDH1A1 2561/4885CYP2A6 628/4885

“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.