SCHEMBL3955547

SCHEMBL3955547

CCCCCC(C(Cl)Cl)C(CC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.46
FFAR1 O14842 1/20 0.46
MAPT P10636 1/20 0.44
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
CA2 P00918 1/20 0.42
MAPK1 P28482 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 2/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39

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
Hexane SCHEMBL6815543 0.88 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
Hexane SCHEMBL6846620 0.88 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
Heptane SCHEMBL1077786 0.86 GPR84 (0.55) GPR84FFAR1MAPTLCKPPARD
SCHEMBL866880 0.79 GPR84 (0.55) GPR84FFAR1MAPTLCKPPARD
SCHEMBL10581578 0.79 GPR84 (0.55) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28312932 0.78 GPR84 (0.54) GPR84FFAR1MAPTLCKPPARD
SCHEMBL27878051 0.76 GPR84 (0.57) GPR84FFAR1MAPTLCKPPARD
SCHEMBL337541 0.76 GPR84 (0.57) GPR84FFAR1MAPTLCKPPARD
SCHEMBL8816556 0.76 GPR84 (0.57) GPR84FFAR1MAPTLCKPPARD
SCHEMBL7295527 0.76 GPR84 (0.57) GPR84FFAR1MAPTLCKPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706123-A4 COMPOSITIONS DERIVED FROM PORTULACA OLERACEA L. AND METHODS OF USING SAME FOR MODULATING BLOOD GLUCOSE LEVELS HERB LTD D (IL) 2009-07-15 EP claimed
US-20070154572-A1 Compositions derived from portulaca oleracea l. and methods of using same for modulating blood glucose levels D-HERB LTD. (IL) 2007-07-05 US claimed
EP-1706123-A2 COMPOSITIONS DERIVED FROM PORTULACA OLERACEA L. AND METHODS OF USING SAME FOR MODULATING BLOOD GLUCOSE LEVELS D-Herb Ltd. (IL) 2006-10-04 EP claimed
WO-2005060349-A2 COMPOSITIONS DERIVED FROM PORTULACA OLERACEA L. AND METHODS OF USING SAME FOR MODULATING BLOOD GLUCOSE LEVELS D-HERB LTD. (IL) 2005-07-07 WO claimed
EP-3083586-B1 NOVEL CARBOXAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND USE THEREOF FOR PRODUCING MEDICAMENTS Bayer Pharma AG (DE) 2018-04-18 EP disclosed
US-9581601-B2 Method of detection of amino acid sequence and/or identification of peptides and proteins, by use of a new derivatization reagent and synthesis of 5-formyl-benzene-1,3-disulphonic acid as derivatization reagent RUDJER BOSKOVIC INSTITUTE (HR) 2017-02-28 US disclosed
EP-3083586-A1 NOVEL CARBOXAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND USE THEREOF FOR PRODUCING MEDICAMENTS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
US-20150233937-A1 METHOD OF DETECTION OF AMINO ACID SEQUENCE AND/OR IDENTIFICATION OF PEPTIDES AND PROTEINS, BY USE OF A NEW DERIVATIZATION REAGENT AND SYNTHESIS OF 5-FORMYL-BENZENE-1,3-DISULPHONIC ACID AS DERIVATIZATION REAGENT RUDJER BOSKOVIC INSTITUTE (HR) 2015-08-20 US disclosed
WO-2015091426-A1 NOVEL CARBOXAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND USE THEREOF FOR PRODUCING MEDICAMENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
EP-1706123-A4 COMPOSITIONS DERIVED FROM PORTULACA OLERACEA L. AND METHODS OF USING SAME FOR MODULATING BLOOD GLUCOSE LEVELS HERB LTD D (IL) 2009-07-15 EP disclosed
US-20070154572-A1 Compositions derived from portulaca oleracea l. and methods of using same for modulating blood glucose levels D-HERB LTD. (IL) 2007-07-05 US disclosed
EP-1706123-A2 COMPOSITIONS DERIVED FROM PORTULACA OLERACEA L. AND METHODS OF USING SAME FOR MODULATING BLOOD GLUCOSE LEVELS D-Herb Ltd. (IL) 2006-10-04 EP disclosed
WO-2005060349-A2 COMPOSITIONS DERIVED FROM PORTULACA OLERACEA L. AND METHODS OF USING SAME FOR MODULATING BLOOD GLUCOSE LEVELS D-HERB LTD. (IL) 2005-07-07 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-20150233937-A1 METHOD OF DETECTION OF AMINO ACID SEQUENCE AND/OR IDENTIFICATION OF PEPTIDES AND PROTEINS, BY USE OF A NEW DERIVATIZATION REAGENT AND SYNTHESIS OF 5-FORMYL-BENZENE-1,3-DISULPHONIC ACID AS DERIVATIZATION REAGENT PTMS, FABP5, FPR1 GPR84 1941/4885FFAR1 621/4885MAPT 4808/4885
US-20070154572-A1 Compositions derived from portulaca oleracea l. and methods of using same for modulating blood glucose levels PNLIP, LIPC, SLC5A1 GPR84 1988/4885FFAR1 943/4885MAPT 2081/4885

“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.