SCHEMBL10165124

SCHEMBL10165124

CCOC(=O)CCCOc1cccc(CCCCCCSc2cc(Cl)cc(Cl)c2)c1CC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.44
LTB4R Q15722 12/20 0.41
LTB4R2 Q9NPC1 7/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
CYP2C9 P11712 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL10165122 0.95 DHFR (0.43) DHFRLTB4RLTB4R2CYP4F2CYP4A11
SCHEMBL1689687 0.94 DHFR (0.47) DHFRLTB4RLTB4R2CYP4F2CYP4A11
SCHEMBL10165129 0.89 LTB4R (0.41) DHFRLTB4RLTB4R2CYP4F2CYP4A11
SCHEMBL1689993 0.82 LTB4R (0.46) DHFRLTB4RLTB4R2CYP4F2CYP4A11
SCHEMBL10165127 0.82 CYP4F2 (0.49) DHFRLTB4RLTB4R2CYP4F2CYP4A11
SCHEMBL10165121 0.81 LTB4R (0.48) LTB4RLTB4R2CYP2C9
SCHEMBL10165131 0.81 CYP4F2 (0.48) DHFRLTB4RLTB4R2CYP4F2CYP4A11
SCHEMBL10165130 0.76 LTB4R (0.52) LTB4RLTB4R2CYP2C9
SCHEMBL200784 0.75 LTB4R (0.55) DHFRLTB4RLTB4R2CYP4F2CYP4A11
SCHEMBL200601 0.75 LTB4R (0.55) DHFRLTB4RLTB4R2CYP4F2CYP4A11

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 5 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
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

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 DHFR 744/4885LTB4R 2/4885LTB4R2 1/4885

“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.