SCHEMBL200950

SCHEMBL200950

CCOC(=O)/C=C/c1c(C)cccc1OCCCC(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
ACHE P22303 4/20 0.42
BCHE P06276 3/20 0.42
TTR P02766 1/20 0.41
DPP4 P27487 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALOX5 P09917 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL200951 1.00 FDPS (0.47) FDPSCA12CA1CA2CA7
SCHEMBL13953920 0.90 TSHR (0.46) FDPSCA12CA1CA2CA7
SCHEMBL201640 0.86 FDPS (0.44) FDPSCA12CA1CA2CA7
SCHEMBL201639 0.86 FDPS (0.44) FDPSCA12CA1CA2CA7
SCHEMBL200763 0.85 TDP1 (0.46) TDP1MEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL2683950 0.81 ALDH1A1 (0.40) FDPSCA12CA1CA2CA7
SCHEMBL2685070 0.80 FDPS (0.41) FDPSCA12CA1CA2CA7
SCHEMBL201784 0.80 MEN1 (0.59) TDP1MEN1KMT2AALOX5SMN1; SMN2
SCHEMBL29213722 0.79 TDP1 (0.64) TDP1MEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL13690226 0.77 DHFR (0.42) MEN1KMT2ACYSLTR2CYSLTR1ALOX5

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411358-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8093385-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8093385-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8093385-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 US disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 US disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 US disclosed
WO-2009077385-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
WO-2009077385-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
WO-2009024492-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-26 WO disclosed
WO-2009024492-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-26 WO disclosed
US-20090054466-A1 Leukotriene B4 Inhibitors DOMINIQUE ROMYR 2009-02-26 US disclosed
US-20090054466-A1 Leukotriene B4 Inhibitors DOMINIQUE ROMYR 2009-02-26 US disclosed
US-20090054466-A1 Leukotriene B4 Inhibitors DOMINIQUE ROMYR 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 (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-20090227603-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S FDPS 148/4885CA12 4223/4885CA1 4515/4885
US-20090054466-A1 Leukotriene B4 Inhibitors LTB4R2, LTB4R, LTC4S FDPS 148/4885CA12 4223/4885CA1 4515/4885

“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.