SCHEMBL1689712

SCHEMBL1689712

CCOC(=O)CCCOc1cccc(CCCCCCOc2cc(I)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)OCC

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 19/20 0.69
LTB4R2 Q9NPC1 4/20 0.64
CYP2C9 P11712 3/20 0.61

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
SCHEMBL200678 0.93 LTB4R (0.72) LTB4RLTB4R2CYP2C9
SCHEMBL1689898 0.91 LTB4R (0.69) LTB4RLTB4R2CYP2C9
SCHEMBL10165270 0.91 LTB4R (0.77) LTB4RLTB4R2CYP2C9
SCHEMBL2260859 0.90 LTB4R (0.70) LTB4RLTB4R2CYP2C9
SCHEMBL201634 0.90 LTB4R (0.68) LTB4RLTB4R2CYP2C9
SCHEMBL201798 0.89 LTB4R (0.67) LTB4RLTB4R2CYP2C9
SCHEMBL1689853 0.89 LTB4R (0.79) LTB4RLTB4R2CYP2C9
SCHEMBL200690 0.89 LTB4R (0.72) LTB4RLTB4R2CYP2C9
SCHEMBL200544 0.89 LTB4R (0.69) LTB4RLTB4R2CYP2C9
SCHEMBL309511 0.89 LTB4R (0.66) LTB4RLTB4R2CYP2C9

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 8 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-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
EP-2190808-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-Roche AG (CH) 2010-06-02 EP 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 (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-20090054466-A1 Leukotriene B4 Inhibitors LTB4R2, LTB4R, LTC4S LTB4R 2/4885LTB4R2 1/4885CYP2C9 279/4885

“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.