SCHEMBL4239587

SCHEMBL4239587

C#CC#CCCCC/C=C/C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.38
HMGCR P04035 5/20 0.37
TBXAS1 P24557 3/20 0.36
PPARD Q03181 1/20 0.34
GABRR1 P24046 2/20 0.33
GABRR2 P28476 2/20 0.33
BLM P54132 2/20 0.33
GABRR3 A8MPY1 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
APEX1 P27695 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPN7 P35236 1/20 0.33

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
SCHEMBL4932579 1.00 PTPN1 (0.38) PTPN1HMGCRTBXAS1PPARDGABRR1
SCHEMBL4238610 1.00 PTPN1 (0.38) PTPN1HMGCRTBXAS1PPARDGABRR1
SCHEMBL14471722 0.87 TSHR (0.37) PTPN1GABRR1GABRR2BLMGABRR3
SCHEMBL14471551 0.87 TSHR (0.37) PTPN1GABRR1GABRR2BLMGABRR3
SCHEMBL14471549 0.87 TSHR (0.37) PTPN1GABRR1GABRR2BLMGABRR3
SCHEMBL4245970 0.83 PTPN1 (0.40) PTPN1TBXAS1PPARDBLMLMNA
SCHEMBL16287670 0.81 CYP1A2 (0.47) PTPN1TBXAS1GABRR1GABRR2BLM
SCHEMBL16287668 0.81 CYP1A2 (0.47) PTPN1TBXAS1GABRR1GABRR2BLM
SCHEMBL4234744 0.81 HMGCR (0.42) PTPN1HMGCRTBXAS1PPARDPTPN7
SCHEMBL4238508 0.81 FAAH (0.37) PTPN1TBXAS1GABRR1GABRR2BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3041370-A1 1H-PYRROLE-2,4-DICARBONYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS IMAX Discovery GmbH (DE) 2016-07-13 EP claimed
WO-2015014609-A1 1H-PYRROLE-2,4-DICARBONYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS IMAX DISCOVERY GMBH (DE) 2015-02-05 WO claimed
WO-2015014607-A1 IMIDAZO[1,2-A]PYRIDINE-YLMETHYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS IMAX DISCOVERY GMBH (DE) 2015-02-05 WO claimed
EP-2832233-A1 1H-pyrrole-2,4-dicarbonyl-derivatives and their use as flavoring agents IMAX Discovery GmbH (DE) 2015-02-04 EP claimed
EP-2832234-A1 Imidazo[1,2-a]pyridine-ylmethyl-derivatives and their use as flavoring agents IMAX Discovery GmbH (DE) 2015-02-04 EP claimed
WO-2013135511-A1 N-(2,4-DIMETHYLPENTAN-3-YL)-METHYLBENZAMIDES AND THEIR USE AS FLAVORING AGENTS IMAX DISCOVERY GMBH (DE) 2013-09-19 WO claimed
EP-3041370-A1 1H-PYRROLE-2,4-DICARBONYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS IMAX Discovery GmbH (DE) 2016-07-13 EP disclosed
WO-2015014607-A1 IMIDAZO[1,2-A]PYRIDINE-YLMETHYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS IMAX DISCOVERY GMBH (DE) 2015-02-05 WO disclosed
WO-2015014609-A1 1H-PYRROLE-2,4-DICARBONYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS IMAX DISCOVERY GMBH (DE) 2015-02-05 WO disclosed
EP-2832233-A1 1H-pyrrole-2,4-dicarbonyl-derivatives and their use as flavoring agents IMAX Discovery GmbH (DE) 2015-02-04 EP disclosed
EP-2832234-A1 Imidazo[1,2-a]pyridine-ylmethyl-derivatives and their use as flavoring agents IMAX Discovery GmbH (DE) 2015-02-04 EP disclosed
WO-2013135511-A1 N-(2,4-DIMETHYLPENTAN-3-YL)-METHYLBENZAMIDES AND THEIR USE AS FLAVORING AGENTS IMAX DISCOVERY GMBH (DE) 2013-09-19 WO disclosed
US-20090054526-A1 INHIBITORS OF ANOREXIC LIPID HYDROLYSIS FOR THE TREATMENT OF EATING DISORDERS UNIVERSITY OF COPENHAGEN (DK) 2009-02-26 US disclosed
US-20080160116-A1 Compositions and Methods Comprising Zingiber Species HERBALSCIENCE SINGAPORE PTE. LTD (SG) 2008-07-03 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 (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-20090054526-A1 INHIBITORS OF ANOREXIC LIPID HYDROLYSIS FOR THE TREATMENT OF EATING DISORDERS LIPE, PNLIP, FAAH2 PTPN1 2880/4885HMGCR 1770/4885TBXAS1 1123/4885
US-20080160116-A1 Compositions and Methods Comprising Zingiber Species AGL, SQLE, RBPJ PTPN1 3368/4885HMGCR 43/4885TBXAS1 3316/4885

“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.