SCHEMBL6802277

SCHEMBL6802277

CCc1cc(C(C)=O)c(O)cc1OCCCCl

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 15/20 0.58
LTB4R2 Q9NPC1 10/20 0.58
NR1H4 Q96RI1 3/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
THRB P10828 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
HTR2B P41595 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
HTT P42858 1/20 0.47
PDE5A O76074 2/20 0.46

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
SCHEMBL9417803 0.87 LTB4R (0.57) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL23788296 0.87 LTB4R (0.60) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL27566166 0.87 NR1H4 (0.55) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL9417903 0.85 LTB4R (0.55) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL9417807 0.84 LTB4R (0.56) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL9417912 0.84 LTB4R (0.58) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL9417862 0.83 PDE5A (0.60) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL9417757 0.82 LTB4R (0.53) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL9417844 0.82 LTB4R (0.54) LTB4RLTB4R2NR1H4MEN1ALDH1A1
SCHEMBL10346817 0.82 NR1H4 (0.66) LTB4RLTB4R2NR1H4MEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198779-A1 Heterocycle substituted diphenyl leukotriene antagonists SAWYER JASON SCOTT (US) 2004-10-07 US disclosed
US-6797723-B1 Heterocycle substituted diphenyl leukotriene antagonists ELI LILLY AND COMPANY 2004-09-28 US disclosed
WO-2001034198-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO 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-20040198779-A1 Heterocycle substituted diphenyl leukotriene antagonists LTB4R, LTB4R2, LTA4H LTB4R 1/4885LTB4R2 2/4885NR1H4 233/4885

“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.