SCHEMBL3744489

SCHEMBL3744489

C=CCC1(CC=C)[C@H](O)C(CC=C)(CC=C)[C@H]1O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32

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
SCHEMBL3741172 1.00 TSHR (0.32) TSHR
SCHEMBL1230344 1.00 TSHR (0.32) TSHR
SCHEMBL10452667 0.84
SCHEMBL7937988 0.64
SCHEMBL15809923 0.63
SCHEMBL11616682 0.62 TSHR (0.38) TSHR
SCHEMBL15810151 0.61
SCHEMBL2294948 0.61
Hydrochloric Acid SCHEMBL11802549 0.57
SCHEMBL1124085 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734566-B1 SULFOPOLYESTER POLYMER COMPOSITIONS WITH IMPROVED WATER DISPERSIBILITY EASTMAN CHEM CO (US) 2016-11-02 EP claimed
US-20140018496-A1 SULFOPOLYESTER POLYMER COMPOSITIONS WITH IMPROVED WATER DISPERSIBILITY EASTMAN CHEMICAL COMPANY (US) 2014-01-16 US claimed
US-20130023604-A1 SULFOPOLYESTER POLYMER COMPOSITIONS WITH IMPROVED WATER DISPERSIBILITY EASTMAN CHEMICAL COMPANY (US) 2013-01-24 US claimed
EP-2912095-B1 COPOLYESTERS CONTAINING NEOPENTYL GLYCOL AND 2,2,4,4-TETRAALKYL-1,3-CYCLOBUTANEDIOL EASTMAN CHEM CO (US) 2018-11-14 EP disclosed
EP-2734566-B1 SULFOPOLYESTER POLYMER COMPOSITIONS WITH IMPROVED WATER DISPERSIBILITY EASTMAN CHEM CO (US) 2016-11-02 EP disclosed
US-20160280956-A1 SULFOPOLYESTER POLYMER COMPOSITIONS WITH IMPROVED WATER DISPERSIBILITY EASTMAN CHEMICAL COMPANY (US) 2016-09-29 US disclosed
US-9127122-B2 Copolyesters containing neopentyl glycol and 2,2,4,4-tetraalkyl 1,3-cyclobutanediol EASTMAN CHEMICAL COMPANY (US) 2015-09-08 US disclosed
US-20140113094-A1 COPOLYESTERS CONTAINING NEOPENTYL GLYCOL AND 2,2,4,4-TETRAALKYL 1,3-CYCLOBUTANEDIOL EASTMAN CHEMICAL COMPANY (US) 2014-04-24 US disclosed
US-20140018496-A1 SULFOPOLYESTER POLYMER COMPOSITIONS WITH IMPROVED WATER DISPERSIBILITY EASTMAN CHEMICAL COMPANY (US) 2014-01-16 US disclosed
US-8623483-B1 Copolyesters containing neopentyl glycol and 2,2,4,4-tetraalkyl 1,3-cyclobutanediol EASTMAN CHEMICAL COMPANY (US) 2014-01-07 US disclosed
US-8580872-B2 Sulfopolyester polymer compositions with improved water dispersibility EASTMAN CHEMICAL COMPANY (US) 2013-11-12 US disclosed
US-7582804-B2 by hydrogenation of a 2,2,4,4-tetraalkylcyclobutane-1,3-dione; cesium and cobalt promoters; specific cis/trans isomer ratio in order to control glass transition temperatures and/or crystallization rates in copolyesters EASTMAN CHEMICAL COMPANY (US) 2009-09-01 US disclosed
US-7560600-B2 by hydrogenation of a 2,2,4,4-tetraalkylcyclobutane-1,3-dione in the presence of an zirconium-promoted nickel-based catalyst; specific cis/trans isomer ratio in order to control glass transition temperatures and/or crystallization rates in copolyesters EASTMAN CHEMICAL COMPANY (US) 2009-07-14 US disclosed
US-7524994-B2 by hydrogenation of a 2,2,4,4-tetraalkylcyclobutane-1,3-dione; specific cis/trans isomer ratio in order to control glass transition temperatures and/or crystallization rates in copolyesters EASTMAN CHEMICAL COMPANY (US) 2009-04-28 US disclosed
US-7521583-B2 Process for the preparation of tetraalkylcyclobutane-1,3-diol in the presence of a cobalt-based catalyst EASTMAN CHEMICAL COMPANY (US) 2009-04-21 US disclosed
US-20080154069-A1 for a specific cis:trans isomer ratio in order to control glass transition temperatures and/or crystallization rates in copolyesters; hydrogenation of a 2,2,4,4-tetraalkylcyclobutane-1,3-dione from the pyrolysis of isobutyric anhydride and dimerization of the resulting dimethylketene EASTMAN CHEMICAL COMPANY (US) 2008-06-26 US disclosed
US-20080132742-A1 by hydrogenation of a 2,2,4,4-tetraalkylcyclobutane-1,3-dione; cesium and cobalt promoters; specific cis/trans isomer ratio in order to control glass transition temperatures and/or crystallization rates in copolyesters EASTMAN CHEMICAL COMPANY (US) 2008-06-05 US disclosed
US-20080132737-A1 by hydrogenation of a 2,2,4,4-tetraalkylcyclobutane-1,3-dione; specific cis/trans isomer ratio in order to control glass transition temperatures and/or crystallization rates in copolyesters EASTMAN CHEMICAL COMPANY (US) 2008-06-05 US disclosed
US-20080132738-A1 by hydrogenation of a 2,2,4,4-tetraalkylcyclobutane-1,3-dione in the presence of an zirconium-promoted nickel-based catalyst; specific cis/trans isomer ratio in order to control glass transition temperatures and/or crystallization rates in copolyesters EASTMAN CHEMICAL COMPANY (US) 2008-06-05 US disclosed
US-20080132739-A1 PROCESS FOR THE PREPARATION OF TETRAALKYLCYCLOBUTANE-1,3-DIOL IN THE PRESENCE OF A COBALT-BASED CATALYST EASTMAN CHEMICAL COMPANY (US) 2008-06-05 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 (5 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-20080132739-A1 PROCESS FOR THE PREPARATION OF TETRAALKYLCYCLOBUTANE-1,3-DIOL IN THE PRESENCE OF A COBALT-BASED CATALYST TET1, TET3, HPD TSHR 3205/4885
US-20080132738-A1 by hydrogenation of a 2,2,4,4-tetraalkylcyclobutane-1,3-dione in the presence of an zirconium-promoted nickel-based catalyst; specific cis/trans isomer ratio in order to control glass transition temperatures and/or crystallization rates in copolyesters ZRANB2, RCC1, TELO2 TSHR 3884/4885
US-20080132742-A1 by hydrogenation of a 2,2,4,4-tetraalkylcyclobutane-1,3-dione; cesium and cobalt promoters; specific cis/trans isomer ratio in order to control glass transition temperatures and/or crystallization rates in copolyesters CA3, TELO2, CA1 TSHR 2184/4885
US-20080154069-A1 for a specific cis:trans isomer ratio in order to control glass transition temperatures and/or crystallization rates in copolyesters; hydrogenation of a 2,2,4,4-tetraalkylcyclobutane-1,3-dione from the pyrolysis of isobutyric anhydride and dimerization of the resulting dimethylketene CA3, CA1, CA2 TSHR 3741/4885
US-20080132737-A1 by hydrogenation of a 2,2,4,4-tetraalkylcyclobutane-1,3-dione; specific cis/trans isomer ratio in order to control glass transition temperatures and/or crystallization rates in copolyesters TELO2, CA3, CA1 TSHR 3427/4885

“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.