Butadiene

Butadiene

SCHEMBL3336285

C=CC=C.c1ccc(O[SiH2]Oc2ccccc2)cc1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.36
CA4 P22748 1/20 0.36
THRB P10828 1/20 0.33
KCNA3 P22001 1/20 0.33
TGM2 P21980 1/20 0.32
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
LMNA P02545 2/20 0.31
MAOA P21397 3/20 0.31
NR1H2 P55055 1/20 0.31
BAX Q07812 1/20 0.31
AOC2 O75106 2/20 0.31
MAOB P27338 2/20 0.31
DAO P14920 1/20 0.31
KMT2A Q03164 2/20 0.30
GAA P10253 1/20 0.30
AOC3 Q16853 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL707758 0.87 LTA4H (0.50) LTA4HTSHRALDH1A1CA4KCNA3
Hydrochloric Acid SCHEMBL9709369 0.84 LTA4H (0.47) LTA4HTSHRALDH1A1CA4KCNA3
Naphthalene SCHEMBL28994860 0.79 CYP2A6 (0.44) LTA4HTSHRALDH1A1CA4KCNA3
Biphenyl SCHEMBL2499426 0.79 ALDH1A1 (0.50) LTA4HTSHRALDH1A1CA4KCNA3
SCHEMBL9715684 0.76 LTA4H (0.45) LTA4HTSHRALDH1A1CA4KCNA3
Diphenylether SCHEMBL474226 0.76 LTA4H (0.71) LTA4HTSHRTGM2LMNAMAOA
Butane SCHEMBL2501351 0.75 LTA4H (0.43) LTA4HTSHRCA4KCNA3LMNA
SCHEMBL17259075 0.75 TSHR (0.42) LTA4HTSHRALDH1A1CA4THRB
Diphenylether SCHEMBL22729153 0.74 LTA4H (0.67) LTA4HTSHRTGM2LMNAMAOA
SCHEMBL10612831 0.73 LTA4H (0.38) LTA4HTSHRCA4KCNA3CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307036-B2 Highly active alpha-olefin polymerization catalyst FORMOSA PLASTICS CORPORATION U.S.A. (US) 2007-12-11 US claimed
US-20060019821-A1 Highly active alpha-olefin polymerization catalyst FORMOSA PLASTICS CORPORATION, U.S.A. 2006-01-26 US claimed
EP-3247729-B1 PROCATALYST FOR POLYMERIZATION OF OLEFINS SABIC GLOBAL TECHNOLOGIES BV (NL) 2019-10-30 EP disclosed
EP-2081969-B1 METHOD FOR CATALYST PREPARATION AND PROCESS OF POLYOLEFIN POLYMERIZATION FROM SAID CATALYST DSM IP ASSETS BV (NL) 2019-09-18 EP disclosed
US-10246529-B2 Procatalyst for polymerization of olefins SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2019-04-02 US disclosed
EP-2828304-B1 ETHYLENE COPOLYMERS WITH A NOVEL COMPOSITION DISTRIBUTION AND PROCESSES FOR MAKING THE SAME FORMOSA PLASTICS CORP USA (US) 2018-03-21 EP disclosed
US-20180002462-A1 PROCATALYST FOR POLYMERIZATION OF OLEFINS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2018-01-04 US disclosed
EP-3247729-A1 PROCATALYST FOR POLYMERIZATION OF OLEFINS SABIC Global Technologies B.V. (NL) 2017-11-29 EP disclosed
US-9487608-B2 Ethylene copolymers with a novel composition distribution and processes for making the same FORMOSA PLASTICS CORPORATION, USA (US) 2016-11-08 US disclosed
WO-2016116469-A1 PROCATALYST FOR POLYMERIZATION OF OLEFINS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2016-07-28 WO disclosed
US-20150203616-A1 Ethylene Copolymers with a Novel Composition Distribution and Processes for Making the Same FORMOSA PLASTICS CORPORATION, U.S.A. 2015-07-23 US disclosed
US-20060019821-A1 Highly active alpha-olefin polymerization catalyst FORMOSA PLASTICS CORPORATION, U.S.A. 2006-01-26 US disclosed
US-20050009690-A1 Catalyst component for olefin polymerization FORMOSA PLASTICS CORPORATIONS, U.S.A. 2005-01-13 US disclosed
US-6268306-B1 COORDINATION CATALYSTS DSM N.V. (NL) 2001-07-31 US disclosed
EP-1086961-A1 Process for the preparation of a catalyst component for the polymerisation of an olefin DSM N.V. (NL) 2001-03-28 EP disclosed
US-6051666-A CONTACTING OLEFIN WITH POLYMERIZATION CATALYST AND AN ORGANOMETALLIC COMPOUND CONTAINING METAL FROM 1,2,12 OR 13 OF THE PERIODIC TABLE DSM N.V. (NL) 2000-04-18 US disclosed
EP-0830391-B1 METHOD FO THE PREPARATION OF A CATALYST SUITABLE FOR THE POLYMERISATION OF AN OLEFIN DSM NV (NL) 1999-06-16 EP disclosed
EP-0830391-A1 METHOD FOR THE PREPARATION OF A CATALYST SUITABLE FOR THE POLYMERISATION OF AN OLEFINE DSM N.V. (NL) 1998-03-25 EP disclosed
WO-1996032427-A1 METHOD FOR THE PREPARATION OF A CATALYST SUITABLE FOR THE POLYMERISATION OF AN OLEFINE DSM N.V. (NL) 1996-10-17 WO disclosed
WO-1996032426-A1 METHOD FOR THE PREPARATION OF A CATALYST SUITABLE FOR THE POLYMERISATION OF AN OLEFINE DSM N.V. (NL) 1996-10-17 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 (2 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-20180002462-A1 PROCATALYST FOR POLYMERIZATION OF OLEFINS PPOX, POR, CPNE4 LTA4H 653/4885TSHR 4877/4885ALDH1A1 487/4885
US-10246529-B2 Procatalyst for polymerization of olefins PPOX, POR, CPNE4 LTA4H 653/4885TSHR 4877/4885ALDH1A1 487/4885

“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.