SCHEMBL4052135

SCHEMBL4052135

OC1c2cc(C=Cc3ccc4cc(F)c(F)cc4n3)ccc2OCc2cccnc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.39
PAX8 Q06710 1/20 0.34
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIM1 P11309 2/20 0.31
CYSLTR2 Q9NS75 1/20 0.30
CYSLTR1 Q9Y271 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
SCHEMBL4052130 1.00 GLA (0.39) GLAPAX8KDM4ENPC1ALDH1A1
SCHEMBL4060088 0.88 GLA (0.39) GLAPAX8KDM4ENPC1ALDH1A1
SCHEMBL4060091 0.88 GLA (0.39) GLAPAX8KDM4ENPC1ALDH1A1
SCHEMBL7252158 0.88 GLA (0.44) GLAPAX8KDM4ENPC1ALDH1A1
SCHEMBL7252154 0.88 GLA (0.44) GLAPAX8KDM4ENPC1ALDH1A1
SCHEMBL7248729 0.83 GLA (0.41) GLAPAX8KDM4ENPC1ALDH1A1
SCHEMBL7248727 0.83 GLA (0.41) GLAPAX8KDM4ENPC1ALDH1A1
SCHEMBL4231281 0.82 CYSLTR1 (0.36) GLACYSLTR2CYSLTR1
SCHEMBL4231288 0.82 CYSLTR1 (0.36) GLACYSLTR2CYSLTR1
SCHEMBL7243489 0.82 GLA (0.40) GLAPAX8KDM4ENPC1ALDH1A1

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-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
EP-1560834-B1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL LAB (ES) 2008-06-25 EP disclosed
US-20060116363-A1 Tricyclic derivatives as ltd4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-01 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-20060116363-A1 Tricyclic derivatives as ltd4 antagonists LTA4H, LTC4S, LTB4R2 GLA 1226/4885PAX8 4842/4885KDM4E 1356/4885

“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.