SCHEMBL6794960

SCHEMBL6794960

CCCCOC(=O)/C=C/c1ccc(C)cc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.68
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
ATM Q13315 1/20 0.58
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ESR1 P03372 1/20 0.55
TDP1 Q9NUW8 2/20 0.52
HCAR2 Q8TDS4 1/20 0.51
CYP3A4 P08684 1/20 0.51
AKR1B10 O60218 1/20 0.51
AKR1B1 P15121 1/20 0.51
TTR P02766 1/20 0.50
DPP4 P27487 1/20 0.50

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
SCHEMBL6794964 1.00 APP (0.68) APPCA12CA1CA2CA7
SCHEMBL13810970 0.95 APP (0.68) APPCA12CA1CA2CA7
SCHEMBL9243655 0.94 APP (0.69) APPCA12CA1CA2CA7
SCHEMBL974015 0.94 APP (0.69) APPCA12CA1CA2CA7
SCHEMBL28248113 0.90 APP (0.66) APPCA12CA1CA2CA7
SCHEMBL19244249 0.88 APP (0.68) APPCA12CA1CA2CA7
SCHEMBL4623274 0.88 APP (0.68) APPCA12CA1CA2CA7
SCHEMBL10007931 0.88 APP (0.72) APPCA12CA1CA2CA7
SCHEMBL6151754 0.88 APP (0.72) APPCA12CA1CA2CA7
SCHEMBL19088247 0.88 APP (0.68) APPCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147365-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-05-20 US disclosed
US-10815203-B2 Analogs of fexaramine and methods of making and using SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-10-27 US disclosed
US-20200123113-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-04-23 US disclosed
US-10450277-B2 Analogs of fexaramine and methods of making and using THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2019-10-22 US 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-20190084939-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2019-03-21 US disclosed
WO-2017078927-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-05-11 WO 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-6784295-B2 CARRIED OUT IN THE PRESENCE OF AN INORGANIC BASE OR ORGANIC NITROGEN BASE AND A PALLADIUM COMPLEX CATALYST CONTAINING SECONDARY MONOPHOSPHINES WITH ALIPHATIC, BRANCHED OR CYCLIC SUBSTITUENTS AS LIGANDS SOLVIAS AG (CH) 2004-08-31 US disclosed
EP-1132361-B1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds SOLVIAS AG (CH) 2003-05-14 EP disclosed
US-6548684-B2 Using monophosphine palladium complex catalyst SOLVIAS AG (SE) 2003-04-15 US disclosed
EP-1132361-A1 Coupling of nucleophiles, vinyl compounds or CO with water, alcohols or amines to organic compounds Solvias AG (CH) 2001-09-12 EP 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-20210147365-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING FXR2, FXR1, SLC10A2 APP 2234/4885CA12 4073/4885CA1 1715/4885
US-20170066724-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING FXR2, FXR1, SLC10A2 APP 2234/4885CA12 4073/4885CA1 1715/4885
US-10815203-B2 Analogs of fexaramine and methods of making and using FXR2, FXR1, SLC10A2 APP 2234/4885CA12 4073/4885CA1 1715/4885
US-10450277-B2 Analogs of fexaramine and methods of making and using FXR2, FXR1, SLC10A2 APP 2234/4885CA12 4073/4885CA1 1715/4885
US-20190084939-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING FXR2, FXR1, SLC10A2 APP 2234/4885CA12 4073/4885CA1 1715/4885
US-10301268-B2 Analogs of fexaramine and methods of making and using FXR2, FXR1, SLC10A2 APP 2234/4885CA12 4073/4885CA1 1715/4885
US-20200123113-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING FXR2, FXR1, SLC10A2 APP 2234/4885CA12 4073/4885CA1 1715/4885

“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.