SCHEMBL3740145

SCHEMBL3740145

C=CCC1(CC=C)C(=O)C(CC=C)(CC=C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 1/20 0.39
CYP3A4 P08684 1/20 0.33
MMP9 P14780 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PGR P06401 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
SCHEMBL2046093 0.75 CPT1A (0.33) CPT1A
SCHEMBL2047432 0.75 CPT1A (0.33) CPT1A
SCHEMBL2051800 0.75 MMP9 (0.36) CPT1AMMP9ALDH1A1
Allobarbital SCHEMBL11484021 0.71 LMNA (0.46) CPT1AMMP9ALDH1A1
SCHEMBL2047416 0.71 CPT1A (0.34) CPT1ACYP3A4MMP9PGR
SCHEMBL2050365 0.71 CPT1A (0.31) CPT1A
SCHEMBL5065701 0.71 ALDH1A1 (0.43) CPT1ACYP3A4MMP9ALDH1A1
SCHEMBL2045943 0.71 CPT1A (0.31) CPT1A
SCHEMBL13969137 0.70 CPT1A (0.55) CPT1A
SCHEMBL2045917 0.69 ALDH1A1 (0.32) CPT1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420868-B2 Process for the preparation of 2,2,4,4-tetraalkylcyclobutane-1,3-diols EASTMAN CHEMICAL COMPANY (US) 2013-04-16 US claimed
US-8420869-B2 Process for the preparation of 2,2,4,4-tetraalkylcyclobutane-1,3-diols EASTMAN CHEMICAL COMPANY (US) 2013-04-16 US claimed
US-20120149946-A1 PROCESS FOR THE PREPARATION OF 2,2,4,4-TETRAALKYLCYCLOBUTANE-1,3-DIOLS EASTMAN CHEMICAL COMPANY (US) 2012-06-14 US claimed
WO-2012078384-A1 PROCESS FOR THE PREPARATION OF 2,2,4,4-TETRAALKYLCYCLOBUTANE-1,3-DIOLS EASTMAN CHEMICAL COMPANY (US) 2012-06-14 WO claimed
US-20120149947-A1 PROCESS FOR THE PREPARATION OF 2,2,4,4-TETRAALKYLCYCLOBUTANE-1,3-DIOLS EASTMAN CHEMICAL COMPANY (US) 2012-06-14 US claimed
US-7838707-B2 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) 2010-11-23 US claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
US-5886223-A REACTING A SUBSTITUTED ANILINE COMPOUND WITH A TETRAALKYL-1,3-CYCLOBUTANEDIONE COMPOUND AND A BASE IN THE PRESENCE OF A SOLVENT AMERICAN CYANAMID COMPANY (US) 1999-03-23 US claimed
JP-2305816-A None JP disclosed
CN-114349596-A Synthetic method of 2,2,4, 4-tetraalkyl-1, 3-cyclobutanediol 万华化学集团股份有限公司 2022-04-15 CN disclosed
US-5886223-A REACTING A SUBSTITUTED ANILINE COMPOUND WITH A TETRAALKYL-1,3-CYCLOBUTANEDIONE COMPOUND AND A BASE IN THE PRESENCE OF A SOLVENT AMERICAN CYANAMID COMPANY (US) 1999-03-23 US disclosed
JP-H02305816-A OXYGEN-PERMEABLE MOLDING KURARAY CO LTD 1990-12-19 JP 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 (7 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-20120149946-A1 PROCESS FOR THE PREPARATION OF 2,2,4,4-TETRAALKYLCYCLOBUTANE-1,3-DIOLS TELO2, TTI2, HAO2 CPT1A 1897/4885CYP3A4 401/4885MMP9 4413/4885
US-20080132739-A1 PROCESS FOR THE PREPARATION OF TETRAALKYLCYCLOBUTANE-1,3-DIOL IN THE PRESENCE OF A COBALT-BASED CATALYST TET1, TET3, HPD CPT1A 884/4885CYP3A4 902/4885MMP9 3783/4885
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 CPT1A 1963/4885CYP3A4 1506/4885MMP9 3976/4885
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 CPT1A 1847/4885CYP3A4 963/4885MMP9 3602/4885
US-20120149947-A1 PROCESS FOR THE PREPARATION OF 2,2,4,4-TETRAALKYLCYCLOBUTANE-1,3-DIOLS DEGS1, ADH1C, HVCN1 CPT1A 1199/4885CYP3A4 98/4885MMP9 4401/4885
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 CPT1A 796/4885CYP3A4 645/4885MMP9 4630/4885
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 CPT1A 1520/4885CYP3A4 1267/4885MMP9 4413/4885

“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.