SCHEMBL6807640

SCHEMBL6807640

ClCCCOCCc1ccc(OCc2ccccc2)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.46
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
FFAR1 O14842 1/20 0.40
GAA P10253 1/20 0.40
PTPN1 P18031 1/20 0.40
FOLH1 Q04609 1/20 0.39
CCR5 P51681 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TLR9 Q9NR96 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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
SCHEMBL6809786 0.82 RAB9A (0.46) SMN1; SMN2RAB9AFFAR4FFAR1KDM4E
SCHEMBL1995693 0.78 RAB9A (0.56) SMN1; SMN2RAB9ATHRATHRBLMNA
SCHEMBL4884524 0.77 LTA4H (0.58) LMNABCHEFFAR4FFAR1
SCHEMBL6813660 0.77 CYP4F2 (0.58) SMN1; SMN2RAB9ATHRATHRBFFAR4
SCHEMBL7615372 0.77 SLC6A9 (0.39) BCHEACHEFFAR4FFAR1PTPN1
SCHEMBL7336624 0.76 BCHE (0.52) BCHEACHEFFAR4KDM4EMTNR1A
SCHEMBL7239389 0.76 MEN1 (0.46) RAB9A
SCHEMBL1668504 0.76 FFAR4 (0.46) SMN1; SMN2RAB9ATHRATHRBFFAR4
SCHEMBL7108030 0.75 FFAR4 (0.45) SMN1; SMN2RAB9ATHRATHRBLMNA
SCHEMBL27821150 0.75 FFAR4 (0.51) SMN1; SMN2RAB9ATHRATHRBFFAR4

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 10 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
EP-1263743-A1 HETEROCYCLE SUBSTITUTED DIPHENYL LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-12-11 EP disclosed
EP-1231939-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2002-08-21 EP disclosed
EP-1231938-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2002-08-21 EP disclosed
WO-2001034197-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed
WO-2001034198-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed
WO-2001034135-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed
WO-2001034580-A1 HETEROCYCLE SUBSTITUTED DIPHENYL LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 2001-05-17 WO disclosed
WO-2001034137-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 SMN1; SMN2 4786/4885RAB9A 4725/4885THRA 2334/4885

“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.