SCHEMBL12365463

SCHEMBL12365463

O=C(O)CCCOc1cccc(COc2cc(C(=O)NCc3ccccc3)cc(-c3ccc(Cl)cc3)c2)c1CCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 18/20 0.54
▸ LTB4R2 Q9NPC1 3/20 0.54
▸ CYP2C9 P11712 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ SCN2A Q99250 1/20 0.44
▸ SCN10A Q9Y5Y9 1/20 0.44

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
SCHEMBL12365433 0.93 LTB4R (0.62) LTB4RLTB4R2CYP2C9
SCHEMBL2263488 0.92 LTB4R (0.67) LTB4RLTB4R2CYP2C9
SCHEMBL12365431 0.91 LTB4R (0.63) LTB4RLTB4R2CYP2C9NPC1RAB9A
SCHEMBL12365442 0.90 LTB4R (0.52) LTB4RLTB4R2CYP2C9
SCHEMBL12365437 0.90 LTB4R (0.49) LTB4RLTB4R2CYP2C9NPC1ALDH1A1
SCHEMBL12365452 0.88 LTB4R (0.51) LTB4RLTB4R2CYP2C9
SCHEMBL12365436 0.88 LTB4R (0.54) LTB4RLTB4R2CYP2C9
SCHEMBL12365468 0.88 LTB4R (0.58) LTB4RLTB4R2CYP2C9
SCHEMBL12365446 0.87 LTB4R (0.63) LTB4RLTB4R2CYP2C9
SCHEMBL12365466 0.87 LTB4R (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989454-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-08-02 — — US disclosed
US-20090253684-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-10-08 — — 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-20090253684-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S LTB4R 2/4885LTB4R2 1/4885CYP2C9 286/4885

“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.

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