SCHEMBL2261371

SCHEMBL2261371

CC(C)(C)OC(=O)c1cc(OCc2ccccc2)cc(-c2ccc3c(c2)OCO3)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
PTGER4 P35408 1/20 0.47
EDNRB P24530 6/20 0.47
EDNRA P25101 6/20 0.47
PRKCZ Q05513 1/20 0.46
HIF1A Q16665 2/20 0.46
LTB4R Q15722 1/20 0.43
MAOA P21397 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL2262693 0.89 MAOB (0.54) MAOBPTGER4EDNRBEDNRAPRKCZ
SCHEMBL2262151 0.86 MEN1 (0.59) MAOBPTGER4EDNRBEDNRAPRKCZ
SCHEMBL3811208 0.82 MAOB (0.44) MAOBPTGER4EDNRBEDNRAPRKCZ
SCHEMBL2262407 0.81 GABRA1 (0.44) PTGER4PRKCZMEN1KMT2ANPC1
SCHEMBL2260815 0.79 NR4A2 (0.48) MAOBMEN1KMT2A
SCHEMBL3662228 0.76 NR4A2 (0.45) MAOBMEN1KMT2A
SCHEMBL202296 0.75 EDNRB (0.50) PTGER4EDNRBEDNRALTB4RMEN1
SCHEMBL200683 0.75 EDNRB (0.50) PTGER4EDNRBEDNRALTB4RMEN1
SCHEMBL27371605 0.75 MEN1 (0.54) MAOBHIF1AMEN1KMT2AHPGD
SCHEMBL200613 0.74 EDNRA (0.49) PTGER4EDNRBEDNRAMEN1KMT2A

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-7989454-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-08-02 US disclosed
EP-2234995-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
US-20090253684-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-10-08 US disclosed
WO-2009077385-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 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-20090253684-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S MAOB 112/4885PTGER4 18/4885EDNRB 172/4885

“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.