SCHEMBL4238508

SCHEMBL4238508

C#CC#CC/C=C\CCC/C=C/C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.37
CNR2 P34972 1/20 0.37
PTPN1 P18031 1/20 0.34
GABRR1 P24046 2/20 0.32
GABRR2 P28476 2/20 0.32
BLM P54132 2/20 0.32
GABRR3 A8MPY1 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
APEX1 P27695 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TBXAS1 P24557 3/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNB2 Q08289 1/20 0.31
CACNA1C Q13936 1/20 0.31
PPARA Q07869 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
SCHEMBL4245970 0.95 PTPN1 (0.40) FAAHCNR2PTPN1BLMLMNA
SCHEMBL4932579 0.81 PTPN1 (0.38) PTPN1GABRR1GABRR2BLMGABRR3
SCHEMBL4238610 0.81 PTPN1 (0.38) PTPN1GABRR1GABRR2BLMGABRR3
SCHEMBL4239587 0.81 PTPN1 (0.38) PTPN1GABRR1GABRR2BLMGABRR3
SCHEMBL14471722 0.78 TSHR (0.37) PTPN1GABRR1GABRR2BLMGABRR3
SCHEMBL14471549 0.78 TSHR (0.37) PTPN1GABRR1GABRR2BLMGABRR3
SCHEMBL14471551 0.78 TSHR (0.37) PTPN1GABRR1GABRR2BLMGABRR3
SCHEMBL4245009 0.77 FAAH (0.50) FAAHCNR2PTPN1BLMLMNA
SCHEMBL8590318 0.74 TSHR (0.52) PTPN1GABRR1GABRR2BLMGABRR3
SCHEMBL8590317 0.74 TSHR (0.52) PTPN1GABRR1GABRR2BLMGABRR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054526-A1 INHIBITORS OF ANOREXIC LIPID HYDROLYSIS FOR THE TREATMENT OF EATING DISORDERS UNIVERSITY OF COPENHAGEN (DK) 2009-02-26 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 (1 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 FAAH 6/4885CNR2 460/4885PTPN1 2880/4885

“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.