SCHEMBL4245970

SCHEMBL4245970

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.40
TBXAS1 P24557 3/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNB2 Q08289 1/20 0.36
CACNA1C Q13936 1/20 0.36
FAAH O00519 2/20 0.34
CNR2 P34972 1/20 0.34
TERT O14746 3/20 0.33
MAPT P10636 2/20 0.33
BLM P54132 2/20 0.33
HSD17B10 Q99714 2/20 0.33
FABP4 P15090 2/20 0.33
F7 P08709 2/20 0.33
F3 P13726 2/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 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
SCHEMBL4238508 0.95 FAAH (0.37) PTPN1TBXAS1ABCG2CACNA2D1CACNB2
SCHEMBL4932579 0.83 PTPN1 (0.38) PTPN1TBXAS1BLMLMNAAPEX1
SCHEMBL4239587 0.83 PTPN1 (0.38) PTPN1TBXAS1BLMLMNAAPEX1
SCHEMBL4238610 0.83 PTPN1 (0.38) PTPN1TBXAS1BLMLMNAAPEX1
SCHEMBL4245009 0.82 FAAH (0.50) PTPN1TBXAS1ABCG2CACNA2D1CACNB2
SCHEMBL3307804 0.79 ABCG2 (0.43) ABCG2CACNA2D1CACNB2CACNA1CMAPT
SCHEMBL3307810 0.79 ABCG2 (0.43) ABCG2CACNA2D1CACNB2CACNA1CMAPT
SCHEMBL14471551 0.77 TSHR (0.37) PTPN1BLMLMNAAPEX1NPSR1
SCHEMBL14471549 0.77 TSHR (0.37) PTPN1BLMLMNAAPEX1NPSR1
SCHEMBL14471722 0.77 TSHR (0.37) PTPN1BLMLMNAAPEX1NPSR1

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 PTPN1 2880/4885TBXAS1 1123/4885ABCG2 4667/4885

“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.