SCHEMBL201640

SCHEMBL201640

CCOC(=O)C=Cc1c(CBr)cccc1OCCCC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.44
ACHE P22303 4/20 0.41
BCHE P06276 3/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
DHFR P00374 2/20 0.40
PTPN1 P18031 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYSLTR2 Q9NS75 2/20 0.38
CYSLTR1 Q9Y271 2/20 0.38
TTR P02766 1/20 0.38
DPP4 P27487 1/20 0.38
MAOB P27338 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL201639 1.00 FDPS (0.44) FDPSACHEBCHECA12CA1
SCHEMBL13690226 0.91 DHFR (0.42) CYP4F2CYP4A11DHFRPTPN1CYSLTR2
SCHEMBL200951 0.86 FDPS (0.47) FDPSACHEBCHECA12CA1
SCHEMBL200950 0.86 FDPS (0.47) FDPSACHEBCHECA12CA1
SCHEMBL10737141 0.81 CYP4F2 (0.52) ACHEBCHECYP4F2CYP4A11DHFR
SCHEMBL12365379 0.80 DHFR (0.48) CYP4F2CYP4A11DHFRCYP3A4
SCHEMBL2683950 0.77 ALDH1A1 (0.40) FDPSACHEBCHECA12CA1
SCHEMBL13953920 0.77 TSHR (0.46) FDPSACHEBCHECA12CA1
SCHEMBL2685070 0.77 FDPS (0.41) FDPSACHEBCHECA12CA1
SCHEMBL13953921 0.76 HRH1 (0.40)

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
US-8093385-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-8088936-B2 Leukotriene B4 inhibitors HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
US-7989454-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US disclosed
EP-2250150-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-17 EP disclosed
EP-2234995-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2010-09-23 US disclosed
EP-2190808-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-Roche AG (CH) 2010-06-02 EP disclosed
US-20090253684-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-10-08 US disclosed
WO-2009109483-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20090253684-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S FDPS 149/4885ACHE 1931/4885BCHE 1668/4885
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S FDPS 148/4885ACHE 1901/4885BCHE 1591/4885
US-20090054466-A1 Leukotriene B4 Inhibitors LTB4R2, LTB4R, LTC4S FDPS 148/4885ACHE 1901/4885BCHE 1591/4885
US-20100240678-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S FDPS 148/4885ACHE 1901/4885BCHE 1591/4885

“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.