SCHEMBL2262151

SCHEMBL2262151

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
MAOB P27338 2/20 0.59
EDNRB P24530 5/20 0.54
EDNRA P25101 5/20 0.54
PTGER4 P35408 1/20 0.53
NR4A2 P43354 3/20 0.50
MAOA P21397 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
MCL1 Q07820 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47

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) MEN1KMT2AMAOBEDNRBEDNRA
SCHEMBL2261371 0.86 MAOB (0.51) MEN1KMT2AMAOBEDNRBEDNRA
SCHEMBL4442793 0.81 PTGER4 (0.61) MAOBPTGER4NR4A2MRGPRX4TP53
SCHEMBL12389168 0.81 RAB9A (0.55) MEN1KMT2AEDNRBEDNRAPTGER4
SCHEMBL3811208 0.80 MAOB (0.44) MEN1KMT2AMAOBEDNRBEDNRA
SCHEMBL200683 0.78 EDNRB (0.50) MEN1KMT2AEDNRBEDNRAPTGER4
SCHEMBL202296 0.78 EDNRB (0.50) MEN1KMT2AEDNRBEDNRAPTGER4
SCHEMBL31464882 0.78 MEN1 (0.68) MEN1KMT2AMAOBNR4A2MAOA
SCHEMBL200613 0.78 EDNRA (0.49) MEN1KMT2AEDNRBEDNRAPTGER4
SCHEMBL1426961 0.76 MEN1 (1.00) MEN1KMT2AMAOBNR4A2MRGPRX4

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 6 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
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
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 MEN1 4284/4885KMT2A 4443/4885MAOB 112/4885

“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.