Sugi Predict

Sugi Predict / Compounds / SCHEMBL1029428

SCHEMBL1029428

SCHEMBL1029428

c1ccc([Sn](c2ccccc2)(c2ccccc2)c2cccc3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.43
▸ HSD17B10 Q99714 5/20 0.43
▸ CYP2A6 P11509 3/20 0.43
▸ TSHR P16473 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ CYP1A2 P05177 5/20 0.41
▸ HPGD P15428 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ NR4A1 P22736 1/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ NR4A3 Q92570 1/20 0.40
▸ HPRT1 P00492 1/20 0.40
▸ CDC25B P30305 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HIF1A Q16665 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ THRB P10828 1/20 0.37

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
SCHEMBL8056313 0.73 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL11761232 0.73 CYP1A2 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL5952012 0.73 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL8052201 0.73 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL15529474 0.73 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL8056327 0.73 CYP1A2 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL11805218 0.73 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL10916663 0.73 CYP1A2 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL15529529 0.70 CYP2A6 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL4377802 0.69 ALDH1A1 (0.85) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000050478-A1 NOVEL FORMULATIONS OF ALKYLLITHIUMS WITH IMPROVED THERMAL STABILITY, PROCESSES TO PRODUCE THESE FORMULATIONS AND PROCESSES FOR USING THE SAME TO IMPROVE STABILITY OF LIVING POLYMER CHAIN ENDS FMC CORPORATION (US) 2000-08-31 — — WO claimed
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-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
CN-100449332-C High refractive index polymerizable compositions MICROSHARP CORP LTD (GB) 2009-01-07 — — CN disclosed
US-20080293905-A9 MULTICOORDINATED METAL COMPLEXES FOR USE IN METATHESIS REACTIONS RIMTEC CORPORATION (JP) 2008-11-27 — — US disclosed
EP-1595169-B1 HIGH REFRACTIVE INDEX POLYMERIZABLE COMPOSITIONS MICROSHARP CORP LTD (GB) 2007-05-30 — — EP 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
US-20060241220-A1 High refractive index polymerizable compositions MICROSHARP CORPORATION LTD. (GB) 2006-10-26 — — US disclosed
CN-1777822-A High refractive index polymerizable compositions MICROSHARP CORP LTD (GB) 2006-05-24 — — CN disclosed
EP-1595169-A1 HIGH REFRACTIVE INDEX POLYMERIZABLE COMPOSITIONS Microsharp Corporaton Limited (GB) 2005-11-16 — — EP disclosed
WO-2004074884-A1 HIGH REFRACTIVE INDEX POLYMERIZABLE COMPOSITIONS MICROSHARP CORPORATION LTD (GB) 2004-09-02 — — WO disclosed
WO-2000050478-A1 NOVEL FORMULATIONS OF ALKYLLITHIUMS WITH IMPROVED THERMAL STABILITY, PROCESSES TO PRODUCE THESE FORMULATIONS AND PROCESSES FOR USING THE SAME TO IMPROVE STABILITY OF LIVING POLYMER CHAIN ENDS FMC CORPORATION (US) 2000-08-31 — — 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-20150080581-A1 MULTICOORDINATED METAL COMPLEXES FOR USE IN METATHESIS REACTIONS APEX1, SOD1, AP1M1 ALDH1A1 1713/4885HSD17B10 1393/4885CYP2A6 1735/4885
US-20120279569-A1 POLYTHIOPHENE BASED ACTIVE LAYER FOR SOLAR CELLS SCO2, CLTB, CLTC ALDH1A1 2933/4885HSD17B10 1254/4885CYP2A6 4013/4885
US-20110313175-A1 4, 4' DISUBSTITUTED 4H-CYCLOPENTADITHIOPHENE AND NEW METHODS FOR SYNTHESISING THE SAME DDT, NISCH, DBH ALDH1A1 2561/4885HSD17B10 1739/4885CYP2A6 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.