SCHEMBL1689641

SCHEMBL1689641

Oc1ccc(C2=COC(Cc3ccccc3)O2)c(-c2ccsc2)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PELI1 Q96FA3 2/20 0.36
CYP26A1 O43174 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
CYP2E1 P05181 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2B6 P20813 1/20 0.31
TMIGD3 P0DMS9 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
MAOB P27338 1/20 0.30
ALOX5 P09917 1/20 0.30
GLO1 Q04760 1/20 0.30
PDK1 Q15118 1/20 0.30

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
SCHEMBL6067976 0.81 ALOX5 (0.41) CYP26A1MAOBALOX5
SCHEMBL6344550 0.69
SCHEMBL746094 0.64 CTRB1 (0.35)
SCHEMBL6067849 0.64 PELI1 (0.53) PELI1CYP2E1CYP2A6CYP2B6TMIGD3
SCHEMBL3137039 0.63 CES2 (0.31)
SCHEMBL4433780 0.63 SRD5A2 (0.45)
SCHEMBL16720459 0.62
SCHEMBL3492346 0.62 NPC1 (0.37)
SCHEMBL5329736 0.61 LTA4H (0.47)
SCHEMBL4731623 0.61 DRD2 (0.48) CYP26A1MAOBALOX5

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 4 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
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

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 PELI1 2125/4885CYP26A1 425/4885GPR84 1063/4885

“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.