SCHEMBL799522

SCHEMBL799522

Cc1ccc(/C=C/C(=O)OC(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
FOS P01100 1/20 0.50
JUN P05412 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
RAB9A P51151 2/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.47
TYR P14679 1/20 0.47
ESR1 P03372 1/20 0.47
CYP1B1 Q16678 2/20 0.46

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
SCHEMBL7693884 1.00 MAPT (0.53) MAPTFOSJUNALDH1A1CYP3A4
SCHEMBL4055668 0.93 CA12 (0.53) MAPTALDH1A1RAB9ACA12CA1
SCHEMBL13845314 0.93 CA12 (0.53) MAPTALDH1A1RAB9ACA12CA1
SCHEMBL4055672 0.93 CA12 (0.53) MAPTALDH1A1RAB9ACA12CA1
SCHEMBL4065768 0.87 CA12 (0.49) MAPTCA12CA1CA2CA7
SCHEMBL4065769 0.87 CA12 (0.49) MAPTCA12CA1CA2CA7
SCHEMBL8091741 0.86 CA12 (0.66) MAPTALDH1A1MAOAMAOBRAB9A
SCHEMBL4283080 0.86 THRB (0.56) MAPTALDH1A1CYP3A4HPGDRAB9A
SCHEMBL4283078 0.86 THRB (0.56) MAPTALDH1A1CYP3A4HPGDRAB9A
SCHEMBL1322440 0.86 KMT2A (0.54) MAPTALDH1A1RAB9ACA12CA1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3116851-B1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INST FOR BIOLOGICAL STUDI (US) 2023-07-26 EP disclosed
US-10301268-B2 Analogs of fexaramine and methods of making and using THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2019-05-28 US disclosed
US-9975856-B2 Process for the preparation of (E)-3-(4-((E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-en-1-yl)phenyl)acrylic acid GENENTECH, INC. (US) 2018-05-22 US disclosed
US-9656986-B2 Compositions comprising TPGS-750-M MYCELL TECHNOLOGIES, LLC (US) 2017-05-23 US disclosed
US-9656985-B2 Surfactant-enabled transition metal-catalyzed chemistry MYCELL TECHNOLOGIES, LLC (US) 2017-05-23 US disclosed
US-20170101380-A1 PROCESS FOR THE PREPARATION OF (E)-3-(4-((E)-2-(2-CHLORO-4-FLUOROPHENYL)-1-(1H-INDAZOL-5-YL)BUT-1-EN-1-YL)PHENYL)ACRYLIC ACID GENENTECH, INC. (US) 2017-04-13 US disclosed
WO-2017060326-A1 PROCESS FOR THE PREPARATION OF (E)-3-(4-((E)-2-(2-CHLORO-4-FLUOROPHENYL)-1-(1H-INDAZOL-5-YL)BUT-1-EN-1-YL)PHENYL)ACRYLIC ACID F. HOFFMANN-LA ROCHE AG (CH) 2017-04-13 WO disclosed
US-20170073322-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry MYCELL TECHNOLOGIES, LLC (US) 2017-03-16 US disclosed
US-20170066724-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-03-09 US disclosed
US-20160347677-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry MYCELL TECH LLC (US) 2016-12-01 US disclosed
US-20160340332-A1 Compositions Comprising TPGS-750-M MYCELL TECH LLC (US) 2016-11-24 US disclosed
US-8853390-B2 Processes for preparing 1,2-substituted cyclopropyl derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
US-8785665-B2 Surfactant-enabled transition metal-catalyzed chemistry MYCELL TECHNOLOGIES, LLC (US) 2014-07-22 US disclosed
EP-2398780-B1 CYCLOPROPYL AMIDE DERIVATIVES TARGETING THE HISTAMINE H3 RECEPTOR ASTRAZENECA AB (SE) 2013-04-17 EP disclosed
US-20130053566-A1 CATIONIC PALLADIUM COMPLEXES COMPRISING DIAMINO CARBENE LIGANDS AND THEIR USE IN CATALYSIS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2013-02-28 US disclosed
US-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives ABBOTT LABORATORIES (US) 2012-03-22 US disclosed
US-20110130562-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry MyCell Holdings Limited 2011-06-02 US disclosed
US-6342627-B1 ESTER INTERCHANGE WITH ALCOHOL IN THE PRESENCE OF LANTHANOIDE METAL ALKOXIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-29 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 (9 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-20130053566-A1 CATIONIC PALLADIUM COMPLEXES COMPRISING DIAMINO CARBENE LIGANDS AND THEIR USE IN CATALYSIS MLX, LBR, LRRK2 MAPT 4116/4885FOS 4374/4885JUN 1030/4885
US-20170066724-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING FXR2, FXR1, SLC10A2 MAPT 4643/4885FOS 1297/4885JUN 2635/4885
US-20160340332-A1 Compositions Comprising TPGS-750-M S100A10, S100A6, TPR MAPT 1142/4885FOS 2150/4885JUN 813/4885
US-20170073322-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry SOD1, SMURF1, MUC1 MAPT 1553/4885FOS 3475/4885JUN 888/4885
US-10301268-B2 Analogs of fexaramine and methods of making and using FXR2, FXR1, SLC10A2 MAPT 4643/4885FOS 1297/4885JUN 2635/4885
US-20110130562-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry SOD1, SMURF1, MUC1 MAPT 1553/4885FOS 3475/4885JUN 888/4885
US-20170101380-A1 PROCESS FOR THE PREPARATION OF (E)-3-(4-((E)-2-(2-CHLORO-4-FLUOROPHENYL)-1-(1H-INDAZOL-5-YL)BUT-1-EN-1-YL)PHENYL)ACRYLIC ACID ESR1, ESR2, GPER1 MAPT 4135/4885FOS 1784/4885JUN 1202/4885
US-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives HRH3, HRH4, HRH1 MAPT 2094/4885FOS 4590/4885JUN 4030/4885
US-20160347677-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry SOD1, SMURF1, MUC1 MAPT 1553/4885FOS 3475/4885JUN 888/4885

“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.